54690402 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 8 8 8 7 7 7 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 2 3 4 4 4 5 5 5 6 6 7 7 8 8 9 9 9 12 12 13 13 14 14 14 16 16 17 18 19 19 20 20 21 21 22 22 22 23 10 32 11 15 7 11 14 15 18 31 18 23 8 12 10 13 10 11 15 16 24 17 25 26 27 28 17 29 30 19 20 33 21 22 23 34 35 36 37 38 1 1 2 2 1 1 1 1 1 1 2 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 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 4.666 6.3981 6.3981 4.666 7.2641 8.9962 3.8 3.8 5.5321 4.666 5.5321 2.9061 2.9061 4.666 6.3981 2 2 8.1301 8.1301 8.9962 9.8622 8.9962 9.8622 2.9132 2.9132 4.046 4.666 5.286 1.4643 1.4643 7.2641 4.1291 7.5932 10.3991 9.6162 8.9962 8.3762 10.3991 1.25 -1.75 1.25 -1.75 -0.25 -0.25 -1.25 -0.25 -0.25 0.25 -1.25 -1.7847 0.2847 -2.75 0.25 -1.2708 -0.2292 0.25 1.25 1.75 1.25 2.75 0.25 -2.4046 0.9046 -2.75 -3.37 -2.75 -1.5829 0.0829 -0.87 1.56 1.56 1.56 2.75 3.37 2.75 -0.06 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 9 9 12 13 16 18 19 20 21 7 11 18 23 8 12 10 13 10 11 16 17 17 19 20 21 23 0 Compound Canonicalized 5 2011.12.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 531 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07B30000000000000000000000000000000000000003C408000000000000081C000001E00100800000C0CC19A043FF093C81200A8023777740082802931222009D821386CD888266AC8D9918470086ED703C8D92790C0200E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-1-methyl-N-(4-methyl-2-pyridyl)-2-oxo-quinoline-3-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-1-methyl-N-(4-methyl-2-pyridinyl)-2-oxo-3-quinolinecarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-1-methyl-<I>N</I>-(4-methylpyridin-2-yl)-2-oxoquinoline-3-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-1-methyl-N-(4-methylpyridin-2-yl)-2-oxoquinoline-3-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1-methyl-N-(4-methylpyridin-2-yl)-4-oxidanyl-2-oxidanylidene-quinoline-3-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-2-keto-1-methyl-N-(4-methyl-2-pyridyl)quinoline-3-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C17H15N3O3/c1-10-7-8-18-13(9-10)19-16(22)14-15(21)11-5-3-4-6-12(11)20(2)17(14)23/h3-9,21H,1-2H3,(H,18,19,22) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 FANVBNLJRYFBJO-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 309.11134135 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C17H15N3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 309.32 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=NC=C1)NC(=O)C2=C(C3=CC=CC=C3N(C2=O)C)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=NC=C1)NC(=O)C2=C(C3=CC=CC=C3N(C2=O)C)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 82.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 309.11134135 23 0 0 0 0 0 0 0 1 -1