54692915 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 37 38 39 40 41 42 8 8 8 7 7 7 7 6 6 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 1 1 2 3 4 4 4 5 5 5 6 6 6 7 7 8 8 9 9 10 10 10 11 11 11 14 14 15 15 17 17 17 18 18 19 21 21 22 23 23 24 24 25 25 26 13 38 12 16 8 11 12 16 20 36 20 21 37 20 22 9 14 13 15 12 13 16 17 27 28 18 29 19 30 31 32 33 19 34 35 22 23 24 25 39 26 40 26 41 42 1 1 2 2 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 2 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 34 35 36 37 38 39 40 41 42 4.666 6.3981 6.3981 4.666 7.2641 8.2332 9.0379 3.8 3.8 5.5321 4.666 5.5321 4.666 2.9061 2.9061 6.3981 5.5321 2 2 8.1301 9.205 9.705 9.705 10.705 10.705 11.205 4.0555 4.454 2.9132 2.9132 5.2221 6.069 5.8421 1.4643 1.4643 7.2641 7.7717 4.1291 9.395 11.015 11.015 11.825 1.718 -1.282 1.718 -1.282 0.218 1.7068 0.3129 -0.782 0.218 0.218 -2.282 -0.782 0.718 -1.3166 0.7527 0.718 -2.782 -0.8028 0.2388 0.718 1.916 1.0499 2.782 1.0499 2.782 1.916 -2.1743 -2.8646 -1.9366 1.3726 -3.3189 -3.092 -2.245 -1.1149 0.5509 -0.402 2.1208 2.028 3.3189 0.513 3.3189 1.916 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 6 6 7 7 8 8 9 9 10 10 14 15 18 21 21 22 23 24 25 8 12 20 21 20 22 9 14 13 15 12 13 18 19 19 22 23 24 25 26 26 0 Compound Canonicalized 5 2011.12.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 620 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 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 00000371E07BB00000000000000000000000000000016000000030608000000000005881F400001E00100800000C0CC19E0433D0B7C99200A8032572740082802DA132A0099921387CD8886EAAC8D9919470086ED703C8D92790C0200E00000000000200200000000000040040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(1H-benzimidazol-2-yl)-1-ethyl-4-hydroxy-2-oxo-quinoline-3-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(1H-benzimidazol-2-yl)-1-ethyl-4-hydroxy-2-oxo-3-quinolinecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(1<I>H</I>-benzimidazol-2-yl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(1H-benzimidazol-2-yl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(1H-benzimidazol-2-yl)-1-ethyl-4-oxidanyl-2-oxidanylidene-quinoline-3-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(1H-benzimidazol-2-yl)-1-ethyl-4-hydroxy-2-keto-quinoline-3-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H16N4O3/c1-2-23-14-10-6-3-7-11(14)16(24)15(18(23)26)17(25)22-19-20-12-8-4-5-9-13(12)21-19/h3-10,24H,2H2,1H3,(H2,20,21,22,25) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 MSIIQGRNGMMSTR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 348.12224039 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H16N4O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 348.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=NC4=CC=CC=C4N3)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=NC4=CC=CC=C4N3)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 98.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 348.12224039 26 0 0 0 0 0 0 0 1 -1