54679543 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 8 8 8 7 7 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 4 5 5 5 6 6 6 7 8 8 8 11 11 12 12 14 14 15 16 16 16 17 17 18 18 9 27 10 13 7 10 19 13 16 24 7 9 11 12 9 10 13 14 20 15 21 15 22 23 17 25 26 18 28 29 30 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 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 4.666 6.3981 6.3981 4.666 7.2641 3.8 3.8 5.5321 4.666 5.5321 2.9061 2.9061 6.3981 2 2 8.1301 8.9962 9.8622 4.666 2.9132 2.9132 1.4643 1.4643 7.2641 8.5287 7.7316 4.1291 8.9962 10.3991 9.8622 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 0.655 -1.965 1.3096 -1.9996 0.4879 -1.1779 -0.465 1.13 1.13 1.965 -0.465 0.345 1.275 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 3.4.6.11 Cactvs xemistry.com 2019.06.18 415 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0733000000000000000000000000000000000000000304000000000000000810000001E00100800000C0CC1980430C082C00200880225525000820000212200088881086CC808262AC8D19184700866D601C8D90790C0200E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-allyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-2-oxo-N-prop-2-enyl-1H-quinoline-3-carboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-2-oxo-<I>N</I>-prop-2-enyl-1<I>H</I>-quinoline-3-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-2-oxo-N-prop-2-enyl-1H-quinoline-3-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 4-oxidanyl-2-oxidanylidene-N-prop-2-enyl-1H-quinoline-3-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-allyl-4-hydroxy-2-keto-1H-quinoline-3-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C13H12N2O3/c1-2-7-14-12(17)10-11(16)8-5-3-4-6-9(8)15-13(10)18/h2-6H,1,7H2,(H,14,17)(H2,15,16,18) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 SBZLTQMYRFIERR-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 2021.05.07 244.08479225 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C13H12N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 244.25 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C=CCNC(=O)C1=C(C2=CC=CC=C2NC1=O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C=CCNC(=O)C1=C(C2=CC=CC=C2NC1=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 2021.05.07 244.08479225 18 0 0 0 0 0 0 0 1 -1