Chloroquine
PubChem CID: 2719
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| Compound Synonyms | chloroquine, 54-05-7, Aralen, Chlorochin, Chloraquine, Artrichin, Chloroquina, Chloroquinium, Capquin, Reumachlor, Chemochin, Chlorquin, Clorochina, Malaquin, Bemaco, Arthrochin, Bemasulph, Chingamin, Cidanchin, Cocartrit, Dichinalex, Gontochin, Pfizerquine, Quinachlor, Quinercyl, Quinoscan, Tresochin, Benaquin, Bipiquin, Elestol, Heliopar, Iroquine, Klorokin, Lapaquin, Malaren, Mesylith, Neochin, Quinilon, Roquine, Sanoquin, Silbesan, Siragan, Solprina, Sopaquin, Trochin, Amokin, Imagon, Nivaquine B, Bemaphate, Cloroquina, Resoquine, Malarex, Chloroquinum, Ronaquine, Nivaquine, Chlorochine, Chlorochinum, Quinagamine, Khingamin, N4-(7-chloroquinolin-4-yl)-N1,N1-diethylpentane-1,4-diamine, Avlochlor, Nivachine, Quinagamin, Quingamine, Resochen, Resoquina, Reumaquin, WIN 244, Delagil, ST 21 (pharmaceutical), RP 3377, 1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-, Chloroquinum [INN-Latin], Cloroquina [INN-Spanish], W 7618, (+-)-Chloroquine, CCRIS 3439, CHEBI:3638, HSDB 3029, 7-Chloro-4-((4-(diethylamino)-1-methylbutyl)amino)quinoline, N4-(7-Chloro-4-quinolinyl)-N1,N1-diethyl-1,4-pentanediamine, {4-[(7-chloroquinolin-4-yl)amino]pentyl}diethylamine, EINECS 200-191-2, UNII-886U3H6UFF, Chloroin, Miniquine, Rivoquine, Tanakene, Arolen, NSC 187208, NSC-187208, BRN 0482809, 886U3H6UFF, 4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine, Gontochin phosphate, CHEMBL76, MFCD00024009, SN 6718, Chloroquine [USP:INN:BAN], Ipsen 225, N(sup 4)-(7-Chloro-4-quinolinyl)-N(sup 1),N(sup 1)-diethyl-1,4-pentanediamine, DTXSID2040446, 7-Chloro-4-[[4-(diethylamino)-1-methylbutyl]amino]quinoline, Quinoline, 7-chloro-4-((4-(diethylamino)-1-methylbutyl)amino)-, 1,4-Pentanediamine, N(4)-(7-chloro-4-quinolinyl)-N(1),N(1)-diethyl-, NSC187208, SN 7618, CQ, Chloroquine (VAN), Clorochina [DCIT], N(4)-(7-chloro-4-quinolinyl)-N(1),N(1)-diethyl-1,4-pentanediamine, Chloroquinum (INN-Latin), Cloroquina (INN-Spanish), 3377 RP, 1,4-Pentanediamine, N(sup 4)-(7-chloro-4-quinolinyl)-N(sup 1),N(sup 1)-diethyl-, CHLOROQUINE (MART.), CHLOROQUINE [MART.], Chloroquine (USP:INN:BAN), 1246815-14-4, 3377 RP opalate, Chloroquin, CHLOROQUINE (USP IMPURITY), CHLOROQUINE [USP IMPURITY], CHLOROQUINE (USP MONOGRAPH), CHLOROQUINE [USP MONOGRAPH], Quinoline, 7-chloro-4-[[4-(diethylamino)-1-methylbutyl]amino]-, N(4)-(7-chloroquinolin-4-yl)-N(1),N(1)-diethylpentane-1,4-diamine, 1,4-PENTANEDIAMINE, N(SUP 4)-(7-CHLORO-4-QUINOLINYL)-N(SUP 1),N (SUP 1)-DIETHYL-, NSC14050, Chloroquine (USP/INN), Malaquin (*Diphosphate*), Cloroquine, Chloroquine, 17, Arechin (Salt/Mix), Delagil (Salt/Mix), Tanakan (Salt/Mix), RP-3377, Bemaphate (Salt/Mix), Resoquine (Salt/Mix), Chloroquine (Standard), Spectrum_000132, Chloroquine + Proveblue, CHLOROQUINE [MI], Prestwick0_000548, Prestwick1_000548, Prestwick2_000548, Prestwick3_000548, Spectrum2_000127, Spectrum3_000341, Spectrum4_000279, Spectrum5_000707, CHLOROQUINE [INN], (.+/-.)-Chloroquine, CHLOROQUINE [HSDB], Epitope ID:131785, MolMap_000009, CHLOROQUINE [VANDF], SCHEMBL8933, Lopac0_000296, BSPBio_000595, BSPBio_002001, CHLOROQUINE [WHO-DD], KBioGR_000778, KBioSS_000592, DivK1c_000404, CU-01000012392-2, SPBio_000174, SPBio_002516, GNF-Pf-4216, BPBio1_000655, GTPL5535, DTXCID0020446, BDBM22985, KBio1_000404, KBio2_000592, KBio2_003160, KBio2_005728, KBio3_001221, P01BA01, NINDS_000404, HMS2090O03, HY-17589AR, N4-(7-chloro-4-quinolyl)-N1,N1-diethyl-pentane-1,4-diamine, ALBB-025694, HY-17589A, s6999, AKOS015935106, CCG-204391, CS-W004760, DB00608, KH-0005, SB73098, SDCCGSBI-0050284.P005, IDI1_000404, SMP2_000034, NCGC00015256-02, NCGC00015256-03, NCGC00015256-04, NCGC00015256-05, NCGC00015256-06, NCGC00015256-07, NCGC00015256-08, NCGC00015256-09, NCGC00015256-10, NCGC00015256-13, NCGC00015256-17, NCGC00015256-28, NCGC00162120-01, DA-51857, FC150960, NCI60_000894, SY086904, WLN: T66 BNJ EMY1&3N2&2 IG, SBI-0050284.P004, AB00053436, C3730, CS-0021871, NS00001540, C07625, D02366, EN300-120683, MLS-0466768.0001, AB00053436-05, AB00053436_06, AB00053436_07, 1, N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-, Q422438, BRD-A91699651-065-01-1, BRD-A91699651-316-06-7, BRD-A91699651-316-09-1, BRD-A91699651-316-10-9, BRD-A91699651-316-11-7, (7-Chloro-4-(4-diethylamino-1-methylbutylamino)-quinoline, n(sup4)-(7-chloro-4-quinolinyl)-n(sup1),4-pentanediamine, quinoline, 7-chloro-4-(4-diethylamino-1-methyl)butylamino-, N'-(7-chloroquinolin-4-yl)-N,N-diethylpentane-1,4-diamine, Quinoline, 7-chloro-4-(4-diethylamino-1-methyl-butylamino)-, 7-CHLORO-N-[5-(DIETHYLAMINO)PENTAN-2-YL]QUINOLIN-4-AMINE, N~4~-(7-chloroquinolin-4-yl)-N~1~,N~1~-diethylpentane-1,4-diamine, 1,4-pentanediamine, N~4~-(7-chloro-4-quinolinyl)-N~1~,N~1~-diethyl-, phosphate (1:2), 7-Chloro-4-[[4-(diethylamino)-1-methylbutyl]amino]quinoline, (+/-)-Chloroquine, N(sup4)-(7-chloro-4-quinolinyl)-N(sup1),N(sup1)-diethyl-1,4-pentanediamine, 117399-83-4, 200-191-2 |
|---|---|
| Topological Polar Surface Area | 28.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 309.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P09210, P08684, P10635, P20815, P04798, P10632, P01375, P08183, Q9NR96, P00387, n.a., P05227, P04156, Q12809, P90584, P02768, Q92887, O15245, P20813, P11712, P33261, Q9NR96, Q9NYK1, P16083, Q96KQ7, Q99700, O89049, P39748, P02752, Q6T755, O94956, Q9NPD5, Q9Y6L6, Q7ZJM1, Q9NUW8, P10845, P05067, P00376, O95342, O15438, O15439, P56817, Q9N6S8, Q9NAW2, Q99720, Q5BJF2, P08913, P18089, P18825, P11229, P08172, P20309, P08173, P08912 |
| Iupac Name | 4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine |
| Prediction Hob | 1.0 |
| Class | Quinolines and derivatives |
| Target Id | NPT2852, NPT98, NPT109, NPT366, NPT1028, NPT78, NPT740, NPT296, NPT222, NPT223, NPT224, NPT262, NPT263, NPT264, NPT265, NPT266 |
| Xlogp | 4.6 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Aminoquinolines and derivatives |
| Molecular Formula | C18H26ClN3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | WHTVZRBIWZFKQO-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -3.902 |
| Rotatable Bond Count | 8.0 |
| State | Solid |
| Logd | 3.723 |
| Synonyms | Aralen, Artrichin, Bemaphate, Capquin, Chlorochin, Chloroquinum, Cloroquina, N(4)-(7-Chloro-4-quinolinyl)-N(1),N(1)-diethyl-1,4-pentanediamine, Nivaquine b, Resoquine, Reumachlor, Sanoquin, Bemaphic acid, Chloraquine, Chlorochine, Chloroquina, Chloroquinium, Chlorquin, Clorochina, Chingamin, Arechine, Khingamin, Sulphate, chloroquine, Arequin, Chloroquine sulfate, Chloroquine sulphate, Nivaquine, Sulfate, chloroquine |
| Compound Name | Chloroquine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 319.182 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 319.182 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 319.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -4.548519636363636 |
| Inchi | InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21) |
| Smiles | CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | 4-aminoquinolines |
- 1. Outgoing r'ship
FOUND_INto/from Ajuga Remota (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Bowdichia Virgilioides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Chamaemelum Nobile (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Cinchona Calisaya (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Corymbia Torelliana (Plant) Rel Props:Source_db:npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Crinum Amabile (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Euphorbia Pithyusa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Salvia Hydrangea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Strychnos Icaja (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Tabernaemontana Corymbosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all