67034165 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 7 7 7 8 8 9 10 10 12 12 13 13 14 14 15 15 16 17 17 18 18 20 20 21 21 22 11 33 9 19 6 7 9 19 35 36 8 13 12 23 24 11 14 10 11 19 17 18 15 25 16 26 16 27 28 20 29 21 30 22 31 22 32 34 1 1 2 2 1 1 1 1 1 1 1 2 1 1 1 1 2 1 2 1 2 1 1 1 1 1 2 1 1 1 1 2 1 2 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 7.2641 4.666 6.3981 3.8 4.666 3.8 5.5321 5.5321 4.666 5.5321 2.9061 2.9061 2 2 5.5321 6.3981 6.3981 6.3981 7.2641 7.2641 4.0555 4.454 2.9132 2.9132 1.4643 1.4643 4.9951 6.3981 6.3981 7.801 4.1291 7.801 6.935 5.8612 2.845 -0.155 1.345 -0.155 2.845 0.345 -1.155 1.345 0.345 1.345 1.845 -1.655 -0.1897 1.8797 0.3242 1.3658 -2.655 -1.155 1.845 -3.155 -1.655 -2.655 -1.0473 -1.7376 -0.8096 2.4996 0.0121 1.6779 -2.965 -0.535 -3.775 -1.345 3.155 -2.965 3.155 3.155 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 6 6 8 8 9 10 12 12 13 14 15 17 18 20 21 6 9 8 13 11 14 10 11 17 18 15 16 16 20 21 22 22 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 494 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07B3000000000000000000000000000000000000000306080000000000000814000001E00100800000C0CC1980430C083400200880225525000820000212200088801086CC808262AC8D19184700866C601C8D90790C0200E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-benzyl-4-hydroxy-2-oxo-quinoline-3-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-hydroxy-2-oxo-1-(phenylmethyl)-3-quinolinecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-oxidanyl-2-oxidanylidene-1-(phenylmethyl)quinoline-3-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-benzyl-4-hydroxy-2-keto-quinoline-3-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C17H14N2O3/c18-16(21)14-15(20)12-8-4-5-9-13(12)19(17(14)22)10-11-6-2-1-3-7-11/h1-9,20H,10H2,(H2,18,21) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 CRGDMQZSAALPIS-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 294.10044231 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C17H14N2O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 294.30 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)N)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)N)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 83.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 294.10044231 22 0 0 0 0 0 0 0 1 -1