70553617 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 42 43 8 8 8 8 7 7 7 6 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 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 13 13 15 15 16 16 17 17 18 18 19 19 19 20 20 21 22 22 23 24 25 26 26 26 11 39 12 14 25 12 13 19 10 14 27 22 25 40 11 12 14 10 11 15 16 17 18 20 28 21 29 23 30 24 31 32 33 34 21 35 36 23 24 37 38 26 41 42 43 1 1 2 2 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 2 1 1 1 1 1 1 1 2 1 1 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 42 43 4.666 6.3981 6.3981 11.5942 7.2641 4.666 10.7282 5.5321 3.8 3.8 4.666 6.3981 8.1301 5.5321 2.9061 2.9061 8.1301 8.9962 7.2641 2 2 9.8622 8.9962 9.8622 11.5942 12.4603 4.666 2.9132 2.9132 7.5932 8.9962 6.6441 7.2641 7.8841 1.4643 1.4643 8.9962 10.3991 4.1291 10.7282 12.7703 12.9972 12.1503 1.25 1.25 -1.75 0.25 -0.25 -1.75 1.75 -0.25 -0.25 -1.25 0.25 0.25 0.25 -1.25 0.2847 -1.7847 1.25 -0.25 -1.25 -0.2292 -1.2708 1.25 1.75 0.25 1.25 1.75 -2.37 0.9046 -2.4046 1.56 -0.87 -1.25 -1.87 -1.25 0.0829 -1.5829 2.37 -0.06 1.56 2.37 1.2131 2.06 2.2869 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 6 6 8 8 9 9 9 10 13 13 15 16 17 18 20 22 22 10 14 11 14 10 11 15 16 17 18 20 21 23 24 21 23 24 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 622 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 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B3800000000000000000000000000000000000000306080000000000000814000001E00100800000C0C81980432C083C00200880225525000820000212200088801086CC808262AC8D19184700866D601C8D90790C0200E00008000000200000001000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-acetamidophenyl)-4-hydroxy-N-methyl-2-oxo-1H-quinoline-3-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-acetamidophenyl)-4-hydroxy-N-methyl-2-oxo-1H-quinoline-3-carboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-(4-acetamidophenyl)-4-hydroxy-<I>N</I>-methyl-2-oxo-1<I>H</I>-quinoline-3-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-acetamidophenyl)-4-hydroxy-N-methyl-2-oxo-1H-quinoline-3-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-acetamidophenyl)-N-methyl-4-oxidanyl-2-oxidanylidene-1H-quinoline-3-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-acetamidophenyl)-4-hydroxy-2-keto-N-methyl-1H-quinoline-3-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H17N3O4/c1-11(23)20-12-7-9-13(10-8-12)22(2)19(26)16-17(24)14-5-3-4-6-15(14)21-18(16)25/h3-10H,1-2H3,(H,20,23)(H2,21,24,25) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 JQWXZKLOMJHNTJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 351.12190603 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H17N3O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 351.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)NC1=CC=C(C=C1)N(C)C(=O)C2=C(C3=CC=CC=C3NC2=O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)NC1=CC=C(C=C1)N(C)C(=O)C2=C(C3=CC=CC=C3NC2=O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 98.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 351.12190603 26 0 0 0 0 0 0 0 1 -1