Quinacrine

PubChem CID: 237

Connections displayed (default: 10).

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Compound Synonyms	quinacrine, mepacrine, atabrine, 83-89-6, Acrinamine, Acriquine, Akrichin, Antimalarina, Haffkinine, Italchine, Quinactine, Erion, acrichine, Mepacrina, Mepacrinum, Quinacrin, Quinacrine hydrochloride, Mepacrine [INN:BAN], Mepacrinum [INN-Latin], Mepacrina [INN-Spanish], atebrin, St 439, 6-Chloro-9-((4-(diethylamino)-1-methylbutyl)amino)-2-methoxyacridine, HSDB 3253, 1,4-Pentanediamine, N4-(6-chloro-2-methoxy-9-acridinyl)-N1,N1-diethyl-, 2-Methoxy-6-chloro-9-diethylaminopentylaminoacridine, 3-Chloro-7-methoxy-9-(1-methyl-4-diethylaminobutylamino)acridine, EINECS 201-508-7, H0C805XYDE, Mepacrine (INN), Malaricida, Methoquine, Italchin, Metochin, Palacrin, Palusan, Pentilen, Mecryl, CCRIS 3726, CCRIS 8633, CHEBI:8711, GNF-PF-5448, AI3-04467, MEPACRINE [INN], QUINACRINE [MI], QUINACRINE [HSDB], QUINACRINE [VANDF], MEPACRINE [WHO-DD], CHEMBL7568, Mepacrine hydrochloride, 4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine, Acridine, 6-chloro-9-((4-(diethylamino)-1-methylbutyl)amino)-2-methoxy-, DTXSID7022627, Quinacrine (hydrochloride,hydrate), chinacrin, N4-(6-Chloro-2-methoxy-9-acridinyl)-N1,N1-diethyl-1,4-pentanediamine, Mepacrinum (INN-Latin), Mepacrina (INN-Spanish), 6-CHLORO-N-[5-(DIETHYLAMINO)PENTAN-2-YL]-2-METHOXYACRIDIN-9-AMINE, N(4)-(6-chloro-2-methoxy-9-acridinyl)-N(1),N(1)-diethyl-1,4-pentanediamine, Atabrine hydrochloride dihydrate, Mepacrine hydrochloride, 6-chloro-N-(5-(diethylamino)pentan-2-yl)-2-methoxyacridin-9-amine, N'-(6-chloro-2-methoxyacridin-9-yl)-N,N-diethylpentane-1,4-diamine, Quinacrine, Mepacrine, UNII-H0C805XYDE, Acirchine, Acridine, 6-chloro-9-[[4-(diethylamino)-1-methylbutyl]amino]-2-methoxy-, N~4~-(6-chloro-2-methoxyacridin-9-yl)-N~1~,N~1~-diethylpentane-1,4-diamine, Quinacrine,Mepacrine, ACRINAMIONE, Atebrin (Salt/Mix), Atebrine (Salt/Mix), Spectrum_000929, Prestwick0_000318, Prestwick1_000318, Prestwick2_000318, Prestwick3_000318, Spectrum2_000888, Spectrum3_000606, Spectrum4_000496, Spectrum5_001405, (.+/-.)-Quinacrine, Lopac0_000970, SCHEMBL19225, BSPBio_000316, BSPBio_002112, KBioGR_001011, KBioGR_002507, KBioSS_001409, KBioSS_002515, DivK1c_000101, SPBio_000676, SPBio_002535, BPBio1_000348, DTXCID802627, GTPL10172, KBio1_000101, KBio2_001409, KBio2_002507, KBio2_003977, KBio2_005075, KBio2_006545, KBio2_007643, KBio3_001612, KBio3_002985, P01AX05, cMAP_000067, NINDS_000101, acrichinum (for the hydrochloride), HMS2090L03, BBL028456, BDBM50015214, RP-866 (Dihydrochloride dihydrate), SN-390 (Dihydrochloride dihydrate), STL061087, AKOS000541535, AKOS016340229, CCG-205050, DB01103, MS-1557, SDCCGSBI-0050943.P006, IDI1_000101, N4-(6-Chloro-2-methoxy-acridin-9-yl)-N1,N1-diethyl-pentane-1,4-diamine, NCGC00015874-02, NCGC00015874-03, NCGC00015874-04, NCGC00015874-06, NCGC00015874-08, NCGC00015874-12, NCGC00162300-01, DA-67071, HY-13735, NCI60_000926, SBI-0050943.P004, AB00053540, CS-0007762, NS00003697, C07339, D08179, EN300-246511, G78134, AB00053540-08, AB00053540-09, AB00053540_10, Q417208, BRD-A45889380-300-04-8, BRD-A45889380-300-06-3, BRD-A45889380-300-07-1, BRD-A45889380-300-08-9, BRD-A45889380-336-03-4, Z31251611, 2-Methoxy-6-chloro-9-diethylaminopent-2-ylaminoacridine, 6-chloro-2-methoxy-9-acridinyl(4-diethylamino-1-methylbutyl)amine, acridine, 3-chloro-7-methoxy-9-(1-methyl-4-diethylaminobutylamino)-, acridine, 3-chloro-9-(4-diethylamino-1-methyl)butylamino-7-methoxy-, N''-(6-chloro-2-methoxy-acridin-9-yl)-N,N-diethyl-pentane-1,4-diamine, N4-(6-chloro-2-methoxy-acridin-9-yl)-N1,N1-diethyl-pentane-1,4-diamine, N4-(6-chloro-2-methoxyacridin-9-yl)-N1,N1-diethylpentane-1,4-diamine, 1,4-PENTANEDIAMINE, N(4)-(6-CHLORO-2-METHOXY-9-ACRIDINYL)-N(1),N(1)-DIETHYL-, 6-CHLORO-9-((4-(DIMETHYLAMINO)-1-METHYLBUTYL)AMINO)-2-METHOXYACRIDINE, N'-(6-Chloro-2-methoxy-acridin-9-yl)-N,N-diethyl-pentane-1,4-diamine dihydrochloride, N4-(6-Chloro-2-methoxy-acridin-9-yl)-N1,N1-diethyl-pentane-1,4-diamine (Mepacrine), N~4~-[6-chloro-2-(methyloxy)acridin-9-yl]-N~1~,N~1~-diethylpentane-1,4-diamine, 201-508-7, N4-(6-Chloro-2-methoxy-acridin-9-yl)-N1,N1-diethyl-pentane-1,4-diamine, (mepacrine)
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	37.4
Hydrogen Bond Donor Count	1.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CCC2CC3CCCCC3CC2C1
Deep Smiles	CCNCCCCNccccOC))ccc6ncc%10cccc6)Cl)))))))))))))))C)))))CC
Heavy Atom Count	28.0
Classyfire Class	Quinolines and derivatives
Scaffold Graph Node Level	C1CCC2NC3CCCCC3CC2C1
Classyfire Subclass	Benzoquinolines
Isotope Atom Count	0.0
Molecular Complexity	461.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	Q9NY46, P28593, P04055, P79208, P12527, P00390, P14555, P04156, n.a., P00592, O62698, P04054, P14423, O14746, P05227, P10275, P15445, Q06278, P80456, P23795, P81908, P02752, P08183, Q8R0V5, P0A800, P22002, O95342, P0DTD1
Iupac Name	4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine
Prediction Hob	0.0
Veber Rule	True
Classyfire Superclass	Organoheterocyclic compounds
Target Id	NPT2852, NPT3172, NPT2742, NPT668, NPT713
Xlogp	6.0
Gsk 4 400 Rule	False
Molecular Formula	C23H30ClN3O
Scaffold Graph Node Bond Level	c1ccc2nc3ccccc3cc2c1
Prediction Swissadme	0.0
Inchi Key	GPKJTRJOBQGKQK-UHFFFAOYSA-N
Silicos It Class	Poorly soluble
Fcsp3	0.4347826086956521
Rotatable Bond Count	9.0
Synonyms	atabrine
Esol Class	Moderately soluble
Functional Groups	CN(C)C, cCl, cNC, cOC, cnc
Compound Name	Quinacrine
Prediction Hob Swissadme	0.0
Exact Mass	399.208
Formal Charge	0.0
Monoisotopic Mass	399.208
Hydrogen Bond Acceptor Count	4.0
Molecular Weight	400.0
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	1.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-6.445789200000001
Inchi	InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
Smiles	CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC
Np Classifier Biosynthetic Pathway	Alkaloids
Defined Bond Stereocenter Count	0.0
Egan Rule	True

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79. Outgoing r'ship FOUND_IN to/from Garcinia Xipshuanbannaensis (Plant) Rel Props:Reference:

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Phytochemical Properties

Associated Connections 79

Plant Connections 79