69762624 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 50 51 52 53 54 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 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 1 1 2 3 3 3 4 4 4 5 5 6 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 12 13 13 14 14 15 15 16 16 17 17 19 19 20 21 21 22 22 22 23 24 25 26 26 27 27 28 28 29 12 18 13 14 43 18 21 48 24 25 7 8 12 30 9 31 32 10 33 34 11 35 36 11 37 38 39 40 13 41 42 15 16 17 18 19 44 20 45 20 46 47 23 25 23 24 26 49 27 50 28 51 29 52 29 53 54 2 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 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 50 51 52 53 54 8.9962 7.2641 8.9962 6.3981 4.666 10.7282 10.7282 11.5942 11.5942 12.4603 12.4603 9.8622 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 10.7282 10.1176 10.5162 11.9928 11.1957 11.1957 11.9928 13.0708 12.6723 12.6723 13.0708 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 -1.75 0.25 0.25 1.75 -0.25 -1.75 -2.75 -1.25 -3.25 -1.75 -2.75 -1.25 -0.25 1.25 1.75 1.75 2.75 1.25 2.75 3.25 1.25 1.25 1.75 0.25 0.25 1.7847 -0.2847 1.2708 0.2292 -1.13 -2.6423 -3.3326 -0.7751 -0.7751 -3.725 -3.725 -1.8577 -1.1674 -3.3326 -2.6423 -0.3577 0.3326 -0.06 1.44 3.06 3.06 3.87 2.37 2.37 -0.06 2.4046 -0.9046 1.5829 -0.0829 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 14 14 15 16 17 19 21 21 22 22 22 24 26 27 28 24 25 15 16 17 19 20 20 23 25 23 24 26 27 28 29 29 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 560 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B30000000000000000000000000000000000000003C60C1000000000000B1F400001E00100000000D0CC19E043CC0F2C81000A803B577540082802035122008D8A1B874D80860FAC0D5B1942188609400C8C9C71888808E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[(2-cyclohexyl-2-oxo-ethyl)amino]-N-(3-quinolyl)benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[(2-cyclohexyl-2-oxoethyl)amino]-N-(3-quinolinyl)benzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[(2-cyclohexyl-2-oxoethyl)amino]-<I>N</I>-quinolin-3-ylbenzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[(2-cyclohexyl-2-oxoethyl)amino]-N-quinolin-3-ylbenzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[(2-cyclohexyl-2-oxidanylidene-ethyl)amino]-N-quinolin-3-yl-benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[(2-cyclohexyl-2-keto-ethyl)amino]-N-(3-quinolyl)benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C24H25N3O2/c28-23(17-8-2-1-3-9-17)16-26-22-13-7-5-11-20(22)24(29)27-19-14-18-10-4-6-12-21(18)25-15-19/h4-7,10-15,17,26H,1-3,8-9,16H2,(H,27,29) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 TXNUFLLUGWCFPD-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 2021.05.07 387.19467705 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C24H25N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 387.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1CCC(CC1)C(=O)CNC2=CC=CC=C2C(=O)NC3=CC4=CC=CC=C4N=C3 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1CCC(CC1)C(=O)CNC2=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 71.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 387.19467705 29 0 0 0 0 0 0 0 1 -1