54678826 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 4 5 5 5 6 6 7 7 8 8 9 9 9 10 10 10 13 13 14 14 15 15 15 17 17 18 19 20 20 21 21 22 22 22 23 23 24 12 35 11 16 7 9 11 16 19 34 19 24 8 13 12 14 15 25 26 11 12 16 17 27 18 28 29 30 31 18 32 33 20 21 22 23 36 37 38 39 24 40 41 1 1 2 2 1 1 1 1 1 1 1 2 1 2 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 4.666 6.3981 6.3981 4.666 7.2641 8.1301 3.8 3.8 4.666 5.5321 5.5321 4.666 2.9061 2.9061 5.5321 6.3981 2 2 8.1301 8.9962 9.8622 8.9962 9.8622 8.9962 4.0555 4.454 2.9132 2.9132 5.2221 6.069 5.8421 1.4643 1.4643 7.2641 4.1291 10.3991 8.3762 8.9962 9.6162 10.3991 8.9962 2 -1 2 -1 0.5 2 -0.5 0.5 -2 0.5 -0.5 1 -1.0347 1.0347 -2.5 1 -0.5208 0.5208 1 0.5 1 -0.5 2 2.5 -1.8923 -2.5826 -1.6546 1.6546 -3.0369 -2.81 -1.9631 -0.8329 0.8329 -0.12 2.31 0.69 -0.5 -1.12 -0.5 2.31 3.12 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 6 6 7 7 8 8 10 10 13 14 17 19 20 21 23 7 11 19 24 8 13 12 14 11 12 17 18 18 20 21 23 24 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 546 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B30000000000000000000000000000000000000003C408000000000000081C000001E00100800000C0CC19A043FF093C81200A8023777740082802931222009D821386CD88826EAC8D9918470086EC703C8D92790C0200E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-ethyl-4-hydroxy-N-(3-methyl-2-pyridyl)-2-oxo-quinoline-3-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-ethyl-4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-3-quinolinecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-ethyl-4-hydroxy-<I>N</I>-(3-methylpyridin-2-yl)-2-oxoquinoline-3-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-ethyl-4-hydroxy-N-(3-methylpyridin-2-yl)-2-oxoquinoline-3-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-ethyl-N-(3-methylpyridin-2-yl)-4-oxidanyl-2-oxidanylidene-quinoline-3-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-ethyl-4-hydroxy-2-keto-N-(3-methyl-2-pyridyl)quinoline-3-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H17N3O3/c1-3-21-13-9-5-4-8-12(13)15(22)14(18(21)24)17(23)20-16-11(2)7-6-10-19-16/h4-10,22H,3H2,1-2H3,(H,19,20,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 RSUZZOYXSVEOBJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 323.12699141 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C18H17N3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 323.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=C(C=CC=N3)C)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=C(C=CC=N3)C)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 82.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 323.12699141 24 0 0 0 0 0 0 0 1 -1