58024712 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 8 8 8 7 7 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 2 2 3 4 4 4 5 5 5 6 6 6 6 7 7 7 8 8 9 9 10 11 11 12 13 13 14 16 16 17 17 18 18 19 10 12 33 15 9 10 27 14 15 28 7 8 9 20 8 21 22 23 24 25 26 11 12 15 13 14 16 17 18 29 19 30 19 31 32 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 1 1 2 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 6.3981 4.666 6.3981 7.2641 4.666 8.9962 9.4962 9.9962 8.1301 6.3981 5.5321 4.666 3.8 3.8 5.5321 2.9061 2.9061 2 2 9.1566 9.0212 9.9711 10.5788 10.1038 8.5287 7.7316 7.2641 4.666 2.9132 2.9132 1.4643 1.4643 4.1291 1.655 1.655 -1.345 0.155 -1.345 0.155 -0.711 0.155 0.655 0.655 0.155 0.655 0.155 -0.845 -0.845 0.6897 -1.3797 0.1758 -0.8658 0.7539 -1.1096 -1.1096 -0.0571 0.7656 1.13 1.13 -0.465 -1.965 1.3096 -1.9996 0.4879 -1.1779 1.965 8 8 8 8 8 8 8 8 8 8 8 5 5 11 11 12 13 13 14 16 17 18 14 15 12 15 13 14 16 17 18 19 19 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 440 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0733000000000000000000000001800000000000000304000000000000000810000001E00100800000D0CC1980430C082C00200880225525000820000212200088881086CC808262AC8D19184700866D601C8D90790C0200E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(cyclopropylmethyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(cyclopropylmethyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(cyclopropylmethyl)-4-hydroxy-2-oxo-1<I>H</I>-quinoline-3-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(cyclopropylmethyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(cyclopropylmethyl)-4-oxidanyl-2-oxidanylidene-1H-quinoline-3-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(cyclopropylmethyl)-4-hydroxy-2-keto-1H-quinoline-3-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C14H14N2O3/c17-12-9-3-1-2-4-10(9)16-14(19)11(12)13(18)15-7-8-5-6-8/h1-4,8H,5-7H2,(H,15,18)(H2,16,17,19) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 CTEUCWGQTPRAMM-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 258.10044231 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C14H14N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 258.27 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CC1CNC(=O)C2=C(C3=CC=CC=C3NC2=O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CC1CNC(=O)C2=C(C3=CC=CC=C3NC2=O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 78.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 258.10044231 19 0 0 0 0 0 0 0 1 -1