54680440 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 8 8 8 7 7 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 4 5 5 5 6 6 6 7 8 8 8 11 11 12 12 14 14 15 16 16 16 17 17 17 9 29 10 13 7 10 18 13 16 21 7 9 11 12 9 10 13 14 19 15 20 15 22 25 17 23 24 26 27 28 1 1 2 2 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 2 1 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 6.3301 4.5981 4.5981 6.3301 3.732 7.1962 7.1962 5.4641 6.3301 5.4641 8.0901 8.0901 4.5981 8.9962 8.9962 2.866 2 6.3301 8.0829 8.0829 3.732 9.5319 2.4675 3.2646 9.5319 2.31 1.4631 1.69 6.8671 -1.655 1.345 -1.655 1.345 -0.155 -0.155 0.845 -0.155 -0.655 0.845 -0.6897 1.3797 -0.655 -0.1758 0.8658 -0.655 -0.155 1.965 -1.3096 1.9996 0.465 -0.4879 -1.13 -1.13 1.1779 0.3819 0.155 -0.6919 -1.965 8 8 8 8 8 8 8 8 8 8 8 4 4 6 6 6 7 8 8 11 12 14 7 10 7 9 11 12 9 10 14 15 15 0 Compound Canonicalized 5 2011.12.21 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.12.21 376 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.12.21 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.12.21 3 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.12.21 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.12.21 00000371C0733000000000000000000000000000000000000000304000000000000000810000001E00100800000C0CC1980432C082C00200880225525000820000212200088881086CC808262AC8D19184700866D601C8D90790C0200E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2011.12.21 N-ethyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2011.12.21 N-ethyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2011.12.21 N-ethyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2011.12.21 N-ethyl-4-oxidanyl-2-oxidanylidene-1H-quinoline-3-carboxamide IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2011.12.21 N-ethyl-4-hydroxy-2-keto-1H-quinoline-3-carboxamide InChI Standard 1 1.0.4 InChI nist.gov 2011.12.21 InChI=1S/C12H12N2O3/c1-2-13-11(16)9-10(15)7-5-3-4-6-8(7)14-12(9)17/h3-6H,2H2,1H3,(H,13,16)(H2,14,15,17) InChIKey Standard 1 1.0.4 InChI nist.gov 2011.12.21 UYDZAQUMTHQJCC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.12.21 1.7 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.12.21 232.084792 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.12.21 C12H12N2O3 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.12.21 232.23528 SMILES Canonical 1 1.7.6 OEChem openeye.com 2011.12.21 CCNC(=O)C1=C(C2=CC=CC=C2NC1=O)O SMILES Isomeric 1 1.7.6 OEChem openeye.com 2011.12.21 CCNC(=O)C1=C(C2=CC=CC=C2NC1=O)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.12.21 78.4 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.12.21 232.084792 17 0 0 0 0 0 0 0 1 36