59740675 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 43 44 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 6 1 1 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 7 8 8 9 10 10 11 11 12 12 14 15 15 16 16 17 18 18 19 19 20 21 21 22 22 23 24 24 25 25 26 26 27 13 14 7 11 14 9 13 32 20 26 7 8 10 28 29 9 12 15 13 30 18 19 16 31 20 17 33 17 34 35 21 36 22 37 24 23 38 23 39 40 25 41 27 42 27 43 44 2 2 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 1 1 1 2 1 1 1 1 2 1 2 2 1 1 1 1 1 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 37 38 39 40 41 42 43 44 6.3981 6.3981 5.5321 4.666 8.1301 4.666 4.666 3.8 3.8 5.5321 5.5321 2.9061 5.5321 6.3981 2.9061 2 2 4.666 6.3981 7.2641 4.666 6.3981 5.5321 7.2641 8.1301 8.9962 8.9962 4.454 4.0555 6.069 2.9132 4.666 2.9132 1.4643 1.4643 4.1291 6.935 4.1291 6.935 5.5321 6.7272 8.1301 9.5331 9.5331 -2.94 -0.94 0.56 -2.94 0.06 -0.94 0.06 -1.44 -2.44 -1.44 1.56 -0.9053 -2.44 0.06 -2.9747 -1.4192 -2.4608 2.06 2.06 0.56 3.06 3.06 3.56 1.56 2.06 0.56 1.56 0.6426 -0.0477 -1.13 -0.2854 -3.56 -3.5946 -1.1071 -2.7729 1.75 1.75 3.37 3.37 4.18 1.87 2.68 0.25 1.87 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 6 6 8 8 9 10 11 11 12 15 16 18 19 20 21 22 24 25 26 9 13 20 26 8 10 9 12 15 13 18 19 16 17 17 21 22 24 23 23 25 27 27 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 582 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B30000000000000000000000000000000000000003C608100000000000081D000001E00100000000C08C19E043CC093C81000A8033577540082802037022008D821B864D80860F2C095B1942108609600C8C9871888800E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenyl-pyridine-2-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenyl-2-pyridinecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[(2-oxo-1<I>H</I>-quinolin-4-yl)methyl]-<I>N</I>-phenylpyridine-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylpyridine-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(2-oxidanylidene-1H-quinolin-4-yl)methyl]-N-phenyl-pyridine-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(2-keto-1H-quinolin-4-yl)methyl]-N-phenyl-picolinamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C22H17N3O2/c26-21-14-16(18-10-4-5-11-19(18)24-21)15-25(17-8-2-1-3-9-17)22(27)20-12-6-7-13-23-20/h1-14H,15H2,(H,24,26) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 NMNTZGMZSJWMBC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 355.132076794 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C22H17N3O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 355.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)N(CC2=CC(=O)NC3=CC=CC=C32)C(=O)C4=CC=CC=N4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)N(CC2=CC(=O)NC3=CC=CC=C32)C(=O)C4=CC=CC=N4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 62.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 355.132076794 27 0 0 0 0 0 0 0 1 -1