69762508 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 45 46 47 48 49 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 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 5 5 5 6 6 7 7 8 8 9 9 9 10 10 12 12 13 13 14 14 15 15 16 16 17 18 18 18 19 20 21 21 22 22 23 24 24 25 26 26 27 27 28 11 5 6 9 11 14 39 20 23 8 29 30 7 10 11 12 15 16 31 32 33 13 34 17 35 17 36 19 23 21 37 22 38 40 19 20 24 41 26 25 42 25 43 44 27 45 46 28 47 28 48 49 2 1 1 1 1 1 1 1 2 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 1 1 2 1 2 2 1 1 1 1 1 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 43 44 45 46 47 48 49 7.2641 8.9962 6.3981 4.666 9.8622 8.9962 8.1301 9.8622 8.1301 9.8622 7.2641 8.1301 9.8622 5.5321 8.9962 10.7282 8.9962 3.8 4.666 3.8 8.9962 10.7282 5.5321 2.9061 9.8622 2.9061 2 2 10.4728 10.0742 7.8201 7.5932 8.4401 10.3991 7.5932 10.3991 8.4592 11.2651 6.3981 8.9962 4.666 8.4592 11.2651 6.069 2.9132 9.8622 2.9132 1.4643 1.4643 0.25 0.25 1.75 -0.25 -0.25 1.25 1.75 -1.25 -0.25 1.75 1.25 2.75 2.75 1.25 -1.75 -1.75 3.25 1.25 1.75 0.25 -2.75 -2.75 0.25 1.7847 -3.25 -0.2847 1.2708 0.2292 -0.3577 0.3326 0.2869 -0.56 -0.7869 1.44 3.06 3.06 -1.44 -1.44 2.37 3.87 2.37 -3.06 -3.06 -0.06 2.4046 -3.87 -0.9046 1.5829 -0.0829 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 6 6 7 8 8 10 12 13 14 14 15 16 18 18 18 20 21 22 24 26 27 20 23 7 10 12 15 16 13 17 17 19 23 21 22 19 20 24 26 25 25 27 28 28 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 504 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B20000000000000000000000000000000000000003C60C1000000000000B1F400001E00100000000C08C19E043EC0F3C81000A8033577540082802035122008D8213874D80860FAC0D591942188609400C8C9C71888808E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[benzyl(methyl)amino]-N-(3-quinolyl)benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[methyl-(phenylmethyl)amino]-N-(3-quinolinyl)benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[benzyl(methyl)amino]-<I>N</I>-quinolin-3-ylbenzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[benzyl(methyl)amino]-N-quinolin-3-ylbenzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[methyl-(phenylmethyl)amino]-N-quinolin-3-yl-benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[benzyl(methyl)amino]-N-(3-quinolyl)benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C24H21N3O/c1-27(17-18-9-3-2-4-10-18)23-14-8-6-12-21(23)24(28)26-20-15-19-11-5-7-13-22(19)25-16-20/h2-16H,17H2,1H3,(H,26,28) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 CZPVNFHVVCYQHJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 367.168462302 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C24H21N3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 367.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN(CC1=CC=CC=C1)C2=CC=CC=C2C(=O)NC3=CC4=CC=CC=C4N=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN(CC1=CC=CC=C1)C2=CC=CC=C2C(=O)NC3=CC4=CC=CC=C4N=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 45.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 367.168462302 28 0 0 0 0 0 0 0 1 -1