69761502 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 1 1 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 5 6 6 6 7 7 7 8 8 8 9 9 10 10 11 11 12 12 13 13 14 14 16 16 17 18 18 19 19 19 20 21 22 23 23 24 24 25 25 26 15 10 11 38 15 18 43 21 22 6 7 10 27 8 28 29 9 30 31 9 32 33 34 35 36 37 12 13 14 15 16 39 17 40 17 41 42 20 22 20 21 23 44 24 45 25 46 26 47 26 48 49 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 2 1 1 2 1 1 1 2 1 2 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 9.0532 10.6712 9.3622 10.3622 9.8622 8.9962 8.1301 9.8622 8.1301 7.2641 9.8622 8.9962 5.5321 3.8 4.666 3.8 5.5321 2.9061 2.9061 2 2 10.4146 8.7432 8.4868 11.2376 10.9812 8.7557 9.427 10.2974 10.9686 10.4728 10.0742 8.4592 10.3991 7.5932 10.3991 8.9962 6.3981 4.666 6.069 2.9132 2.9132 1.4643 1.4643 0.0194 0.0194 1.5194 -0.4806 -1.4806 -2.0684 -2.0684 -3.0194 -3.0194 -0.4806 1.0194 1.5194 1.5194 2.5194 1.0194 2.5194 3.0194 1.0194 1.0194 1.5194 0.0194 0.0194 1.5541 -0.5152 1.0402 -0.0014 -1.1991 -1.5314 -2.3205 -2.3205 -1.5314 -3.1483 -3.636 -3.636 -3.1483 -0.5882 0.102 -0.2906 1.2094 2.8294 2.8294 3.6394 2.1394 2.1394 -0.2906 2.174 -1.1352 1.3523 -0.3135 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 11 11 12 13 14 16 18 18 19 19 19 21 23 24 25 21 22 12 13 14 16 17 17 20 22 20 21 23 24 25 26 26 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 462 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 2 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 00000371E07B20000000000000000000000000000001800000003C6080000000000000B1F400001E00100000000D08C19E043CC0F2C81000A8033577540082802035122008D8A13874D80860FAC0D591942188609400C8C9C71888808E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(cyclopentylmethylamino)-N-(3-quinolyl)benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(cyclopentylmethylamino)-N-(3-quinolinyl)benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(cyclopentylmethylamino)-<I>N</I>-quinolin-3-ylbenzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(cyclopentylmethylamino)-N-quinolin-3-ylbenzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(cyclopentylmethylamino)-N-quinolin-3-yl-benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(cyclopentylmethylamino)-N-(3-quinolyl)benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C22H23N3O/c26-22(25-18-13-17-9-3-5-11-20(17)24-15-18)19-10-4-6-12-21(19)23-14-16-7-1-2-8-16/h3-6,9-13,15-16,23H,1-2,7-8,14H2,(H,25,26) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 AZLFFLIIUSPXGZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 5.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 345.184112366 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C22H23N3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 345.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CCC(C1)CNC2=CC=CC=C2C(=O)NC3=CC4=CC=CC=C4N=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CCC(C1)CNC2=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 54 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 345.184112366 26 0 0 0 0 0 0 0 1 -1