68288506 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 8 8 7 7 7 6 6 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 2 3 3 3 4 4 4 5 5 6 6 6 7 8 8 9 9 9 10 11 11 12 13 13 14 14 17 17 18 18 19 19 20 20 21 21 22 23 23 24 25 25 26 15 16 7 15 30 16 21 34 24 26 7 8 10 11 14 16 10 12 13 27 12 28 29 17 18 15 31 19 32 20 33 22 35 22 36 23 24 37 25 38 39 26 40 41 2 2 1 1 1 1 1 1 1 2 2 1 1 1 2 1 2 1 1 1 2 1 1 2 1 1 1 1 1 2 1 2 1 1 1 1 2 1 2 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 30 31 32 33 34 35 36 37 38 39 40 41 8.9942 6.3961 7.2622 8.1282 8.9942 6.3961 6.3961 7.2622 4.5961 5.5022 5.5022 4.5961 3.732 8.1282 8.1282 7.2622 2.8641 3.7359 2 2.8718 8.1282 2.0038 7.2622 8.9942 7.2622 8.1282 5.5094 5.5094 4.0604 7.2622 8.6651 2.8617 4.274 8.6651 1.4619 2.8742 1.4681 6.7252 9.5312 6.7252 8.1282 -2.94 0.56 -2.94 0.56 3.06 -1.44 -2.44 -0.94 -1.4192 -0.9053 -2.9747 -2.4608 -0.9158 -1.44 -2.44 0.06 -1.4125 0.0841 -0.9092 0.5875 1.56 0.0908 2.06 2.06 3.06 3.56 -0.2854 -3.5946 -2.7729 -3.56 -1.13 -2.0325 0.3921 0.25 -1.2171 1.2075 0.4029 1.75 1.75 3.37 4.18 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 5 5 6 6 6 7 8 9 9 11 13 13 14 17 18 19 20 21 21 23 25 7 15 24 26 7 8 10 11 14 10 12 12 17 18 15 19 20 22 22 23 24 25 26 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 568 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 00000371C07B30000000000000000000000000000000000000003C608100000000000081D000001E00100000000C08C19A043CC092C81000A8023577540082802031122008D8213874D80860F2C09591942008609400C8C9871C88C08E88000200000200001000040000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-oxo-6-phenyl-N-(3-pyridyl)-1H-quinoline-4-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-oxo-6-phenyl-N-(3-pyridinyl)-1H-quinoline-4-carboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-oxo-6-phenyl-<I>N</I>-pyridin-3-yl-1<I>H</I>-quinoline-4-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-oxo-6-phenyl-N-pyridin-3-yl-1H-quinoline-4-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-oxidanylidene-6-phenyl-N-pyridin-3-yl-1H-quinoline-4-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-keto-6-phenyl-N-(3-pyridyl)-1H-quinoline-4-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C21H15N3O2/c25-20-12-18(21(26)23-16-7-4-10-22-13-16)17-11-15(8-9-19(17)24-20)14-5-2-1-3-6-14/h1-13H,(H,23,26)(H,24,25) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 DAXKPJOUBWRCPH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 341.116426730 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C21H15N3O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 341.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)NC4=CN=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)NC4=CN=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 71.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 341.116426730 26 0 0 0 0 0 0 0 1 -1