54683801 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 8 8 8 8 7 7 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 2 3 4 4 5 5 5 6 6 6 7 7 7 8 9 9 9 12 12 13 13 15 15 16 17 17 18 18 19 19 20 21 21 22 10 31 11 14 20 34 8 11 23 14 17 28 8 10 12 13 10 11 14 15 24 16 25 16 26 27 18 19 20 29 21 30 22 22 32 33 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 2 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 4.666 6.3981 6.3981 8.9962 4.666 7.2641 3.8 3.8 5.5321 4.666 5.5321 2.9061 2.9061 6.3981 2 2 8.1301 8.1301 8.9962 8.9962 9.8622 9.8622 4.666 2.9132 2.9132 1.4643 1.4643 7.2641 7.5932 8.9962 4.1291 10.3991 10.3991 9.5331 0.905 -2.095 0.905 2.405 -2.095 -0.595 -0.595 -1.595 -0.595 -0.095 -1.595 -0.0603 -2.1297 -0.095 -0.5742 -1.6158 -0.095 0.905 -0.595 1.405 -0.095 0.905 -2.715 0.5596 -2.7496 -0.2621 -1.9279 -1.215 1.215 -1.215 1.215 -0.405 1.215 2.715 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 7 7 7 8 9 9 12 13 15 17 17 18 19 20 21 8 11 8 10 12 13 10 11 15 16 16 18 19 20 21 22 22 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 502 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 4 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 00000371C07B3800000000000000000000000000000000000000306080000000000000814000001E00100800000C0C81980030C682C00200880225525000820000212200088801066CC808262ACAD19384700866D419C8D90790D0230E00000002000200000000000400040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-N-(3-hydroxyphenyl)-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-hydroxyphenyl)-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-hydroxyphenyl)-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-hydroxyphenyl)-2-oxo-1H-quinoline-3-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(3-hydroxyphenyl)-4-oxidanyl-2-oxidanylidene-1H-quinoline-3-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-N-(3-hydroxyphenyl)-2-keto-1H-quinoline-3-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H12N2O4/c19-10-5-3-4-9(8-10)17-15(21)13-14(20)11-6-1-2-7-12(11)18-16(13)22/h1-8,19H,(H,17,21)(H2,18,20,22) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 JFHRQAGLXHCZAR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 296.07970687 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H12N2O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 296.28 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=C1)C(=C(C(=O)N2)C(=O)NC3=CC(=CC=C3)O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=C1)C(=C(C(=O)N2)C(=O)NC3=CC(=CC=C3)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 2021.05.07 296.07970687 22 0 0 0 0 0 0 0 1 -1