54684062 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 8 8 8 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 2 3 4 4 4 5 5 5 6 6 6 7 8 8 8 11 11 13 13 14 14 15 15 16 17 17 18 18 19 19 20 20 21 22 22 22 9 33 10 12 7 10 23 12 14 26 7 9 11 13 9 10 12 15 24 16 25 17 19 16 27 28 18 29 20 22 21 30 21 31 32 34 35 36 1 1 2 2 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 2 2 1 1 2 1 1 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 4.666 6.3981 6.3981 4.666 7.2641 3.8 3.8 5.5321 4.666 5.5321 2.9061 6.3981 2.9061 8.1301 2 2 8.1301 8.9962 8.9962 9.8622 9.8622 8.9962 4.666 2.9132 2.9132 7.2641 1.4643 1.4643 7.5932 8.9962 10.3991 10.3991 4.1291 9.6162 8.9962 8.3762 1.06 -1.94 1.06 -1.94 -0.44 -0.44 -1.44 -0.44 0.06 -1.44 0.0947 0.06 -1.9747 0.06 -0.4192 -1.4608 1.06 1.56 -0.44 1.06 0.06 2.56 -2.56 0.7146 -2.5946 -1.06 -0.1071 -1.7729 1.37 -1.06 1.37 -0.25 1.37 2.56 3.18 2.56 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 6 6 6 7 8 8 11 13 14 14 15 17 18 19 20 7 10 7 9 11 13 9 10 15 16 17 19 16 18 20 21 21 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 500 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07B3000000000000000000000000000000000000000306080000000000000814000001E00100800000C0C81980032C082C00200880225525000820000212200088801006CC808262AC8D19184700866D401C8D90790C0200E00000040000200000000008000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-N-(m-tolyl)-2-oxo-1H-quinoline-3-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-N-(3-methylphenyl)-2-oxo-1H-quinoline-3-carboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-<I>N</I>-(3-methylphenyl)-2-oxo-1<I>H</I>-quinoline-3-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-N-(3-methylphenyl)-2-oxo-1H-quinoline-3-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(3-methylphenyl)-4-oxidanyl-2-oxidanylidene-1H-quinoline-3-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-2-keto-N-(m-tolyl)-1H-quinoline-3-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C17H14N2O3/c1-10-5-4-6-11(9-10)18-16(21)14-15(20)12-7-2-3-8-13(12)19-17(14)22/h2-9H,1H3,(H,18,21)(H2,19,20,22) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 LLUZBXPRDICPGL-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 294.10044231 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C17H14N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 294.30 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=CC=C1)NC(=O)C2=C(C3=CC=CC=C3NC2=O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=CC=C1)NC(=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 78.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 294.10044231 22 0 0 0 0 0 0 0 1 -1