Quinolones
PubChem CID: 6038
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| Compound Synonyms | 2-Hydroxyquinoline, 59-31-4, 2-Quinolinol, Quinolin-2-ol, Carbostyril, Quinolin-2(1H)-one, 2(1H)-Quinolinone, 2-Quinolone, 1H-quinolin-2-one, Quinolinol, quinolone, Quinolinone, 70254-42-1, alpha-Quinolone, o-Aminocinnamic acid lactam, 1321-40-0, 2(1H)-Quinolone, 2-Quinolinone, 104534-80-7, Quinolones, 2-OXOQUINOLINE, MFCD00006743, 1,2-dihydroquinolin-2-one, .alpha.-Quinolone, NSC 156783, .alpha.-Hydroxyquinoline, 803BHY7QWU, CHEMBL186422, CHEBI:16365, NSC-156783, 2-(1H)-QUINOLINONE, alpha-Hydroxyquinoline, Ketoquinoline, Ketoquinolines, Oxoquinolines, Quinolinones, Hydroxyquinoleine, Hydroxyquinoleine [French], hydroquinolin-2-one, Carbostyril (VAN), CCRIS 4327, EINECS 200-420-6, UNII-803BHY7QWU, hyroxyquinoline, hydroquinolinone, AI3-00782, 1H-quinolinone, quino- lone, 1H-quinolone, 2-Chinolinol, quinolin-2-one, a-Hydroxyquinoline, 3srg, 1-H-quinolone, EINECS 274-516-1, 2-[1h]-quinolone, quinoline, 2-hydroxy-, starbld0000627, 2-HYDROXYQUINOLINE (2-QUINOLINOL), CARBOSTYRIL [MI], 2-Hydroxyquinoline, 98%, SCHEMBL8621, 2-oxo-1,2-dihydroquinoline, HYDROXYQUINOLINE, 2-, MLS004491723, NSC554, DTXSID1058769, CHEBI:18289, CHEBI:23765, DTXSID60879991, NSC-554, HMS3604N04, STR05548, BDBM50366034, MFCD00463096, NSC156783, STK097666, STK414900, AKOS003297745, AKOS015897112, AC-3056, CS-W005598, DB04745, FH40553, GS-6597, PS-4021, SB37816, SB67445, NCGC00166019-01, BP-10114, SMR003288680, SY003693, SY303522, DB-021213, DB-228250, H0304, NS00034131, EN300-67221, C06338, C06415, E82978, 10.14272/LISFMEBWQUVKPJ-UHFFFAOYSA-N.1, AC-907/25014359, doi:10.14272/LISFMEBWQUVKPJ-UHFFFAOYSA-N.1, Q27095480, Z57473020, F0001-1542, InChI=1/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11 |
|---|---|
| Topological Polar Surface Area | 29.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 198.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P51450, O97447, P22894, P29477, P08253, P14780, P15917, P08254, O42713, P09917, P03956, Q9UBT6, P00918, P00915, Q9Y2D0, P07451, P43166, P35218, P22748, O43570, Q16790, Q8N1Q1, Q9ULX7, P23280, Q9H2K2, P14598, P0DTD1, n.a. |
| Iupac Name | 1H-quinolin-2-one |
| Prediction Hob | 1.0 |
| Target Id | NPT947, NPT1144, NPT1146, NPT955, NPT1143, NPT1062, NPT949, NPT948, NPT3101, NPT954, NPT1063 |
| Xlogp | 1.3 |
| Molecular Formula | C9H7NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | LISFMEBWQUVKPJ-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -5.287 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.542 |
| Compound Name | Quinolones |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 145.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 145.053 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 145.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.798725472727273 |
| Inchi | InChI=1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11) |
| Smiles | C1=CC=C2C(=C1)C=CC(=O)N2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
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