69761701 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 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 12 12 13 13 14 14 16 16 17 18 18 19 19 20 20 21 22 23 23 24 24 25 25 26 15 5 11 38 15 18 43 21 22 6 7 27 8 28 29 9 30 31 10 32 33 10 34 35 36 37 12 13 14 15 16 39 17 40 17 41 42 19 22 20 44 21 23 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 1 2 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 10.7282 9.8622 11.5942 10.7282 11.5942 8.9962 8.1301 9.8622 8.1301 7.2641 9.8622 8.9962 5.5321 4.666 3.8 3.8 5.5321 2.9061 2.9061 2 2 9.3252 11.1267 10.3297 9.2516 9.6501 12.2048 11.8063 10.3297 11.1267 11.8063 12.2048 8.4592 10.3991 7.5932 10.3991 8.9962 6.3981 4.666 6.069 2.9132 2.9132 1.4643 1.4643 -0.5 -0.5 1 -1 -1 -0.5 -2 -1 -2.5 -2 0.5 1 1 2 0.5 2 2.5 0.5 1 0.5 -0.5 -0.5 1.0347 -1.0347 0.5208 -0.5208 -1.31 -0.0251 -0.0251 -1.8923 -2.5826 -1.1077 -0.4174 -2.975 -2.975 -2.5826 -1.8923 -0.81 0.69 2.31 2.31 3.12 1.62 1.62 -0.81 1.6546 -1.6546 0.8329 -0.8329 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 20 20 21 23 24 25 21 22 12 13 14 16 17 17 19 22 20 21 23 24 25 26 26 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 462 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B20000000000000000000000000000000000000003C60C1000000000000B1F400001E00100000000C28C19E043CC0F2C81000A8033577540082802035122008D8A13874D80860FAC0D591942188609400C8C9C71888808E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(cyclohexylamino)-N-(3-quinolyl)benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(cyclohexylamino)-N-(3-quinolinyl)benzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(cyclohexylamino)-<I>N</I>-quinolin-3-ylbenzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(cyclohexylamino)-N-quinolin-3-ylbenzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(cyclohexylamino)-N-quinolin-3-yl-benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(cyclohexylamino)-N-(3-quinolyl)benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C22H23N3O/c26-22(25-18-14-16-8-4-6-12-20(16)23-15-18)19-11-5-7-13-21(19)24-17-9-2-1-3-10-17/h4-8,11-15,17,24H,1-3,9-10H2,(H,25,26) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 WVJYBSWTFHBQCU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 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 2019.06.18 C22H23N3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 345.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1CCC(CC1)NC2=CC=CC=C2C(=O)NC3=CC4=CC=CC=C4N=C3 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1CCC(CC1)NC2=CC=CC=C2C(=O)NC3=CC4=CC=CC=C4N=C3 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 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