66716066 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 8 7 7 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 2 2 2 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 10 11 11 11 12 12 13 13 14 14 15 16 17 17 18 18 19 19 20 10 4 10 32 15 16 5 6 21 7 22 23 8 24 25 9 26 27 9 28 29 30 31 11 12 33 34 13 15 14 35 16 17 36 18 19 37 20 38 20 39 40 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 2 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 7.2641 8.1301 4.666 8.9962 8.9962 9.8622 9.8622 10.7282 10.7282 7.2641 6.3981 5.5321 4.666 3.8 5.5321 3.8 2.9061 2.9061 2 2 8.9962 8.3856 8.7841 10.2607 9.4637 9.4637 10.2607 11.3388 10.9403 10.9403 11.3388 8.1301 6.7966 5.9996 4.666 6.069 2.9132 2.9132 1.4643 1.4643 -0.7927 0.7073 -1.2927 0.2073 -0.7927 0.7073 -1.2927 0.2073 -0.7927 0.2073 0.7073 0.2073 0.7073 0.2073 -0.7927 -0.7927 0.742 -1.3273 0.2281 -0.8135 0.8273 -0.685 -1.3753 1.1823 1.1823 -1.7676 -1.7676 0.0997 0.7899 -1.3753 -0.685 1.3273 1.1823 1.1823 1.3273 -1.1027 1.362 -1.9473 0.5402 -1.1256 8 8 8 8 8 8 8 8 8 8 8 3 3 12 12 13 14 14 16 17 18 19 15 16 13 15 14 16 17 18 19 20 20 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 325 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B20000000000000000000000000000000000000003C6080000000000000B1F000001E00100000000C28C19E043CC0F2C81000A8033577540082802031022008D8A13864980820F2C09591842008609600C8C8071C88C08E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-cyclohexyl-2-(3-quinolyl)acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-cyclohexyl-2-(3-quinolinyl)acetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-cyclohexyl-2-quinolin-3-ylacetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-cyclohexyl-2-quinolin-3-ylacetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-cyclohexyl-2-quinolin-3-yl-ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-cyclohexyl-2-(3-quinolyl)acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C17H20N2O/c20-17(19-15-7-2-1-3-8-15)11-13-10-14-6-4-5-9-16(14)18-12-13/h4-6,9-10,12,15H,1-3,7-8,11H2,(H,19,20) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 XWWXQMJBFIJGSH-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 268.157563266 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C17H20N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 268.35 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1CCC(CC1)NC(=O)CC2=CC3=CC=CC=C3N=C2 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1CCC(CC1)NC(=O)CC2=CC3=CC=CC=C3N=C2 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 42 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 268.157563266 20 0 0 0 0 0 0 0 1 -1