C142H144F8N8O9 — CID 157213673
4-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[3-(2-cyclopropylacetyl)-4-(2-phenylethyl)-7-(trifluoromethoxy)quinolin-6-yl]-N-(4-methylcyclohexyl)benzamide (PubChem CID 157213673) has the molecular formula C142H144F8N8O9 and a molecular weight of 2258.74 g/mol. Its IUPAC name is 4-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[3-(2-cyclopropylacetyl)-4-(2-phenylethyl)-7-(trifluoromethoxy)quinolin-6-yl]-N-(4-methylcyclohexyl)benzamide.
| Compound Name | 4-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[3-(2-cyclopropylacetyl)-4-(2-phenylethyl)-7-(trifluoromethoxy)quinolin-6-yl]-N-(4-methylcyclohexyl)benzamide |
|---|---|
| PubChem CID | 157213673 |
| Molecular Formula | C142H144F8N8O9 |
| Molecular Weight | 2258.74 g/mol |
| Exact Mass | 2257.09 |
| IUPAC Name | 4-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[3-(2-cyclopropylacetyl)-4-(2-phenylethyl)-7-(trifluoromethoxy)quinolin-6-yl]-N-(4-methylcyclohexyl)benzamide |
| SMILES | CC1CCC(NC(=O)c2ccc(-c3cc4c(CC5C6CC5C6)c(C(=O)CC5CC5)cnc4cc3F)cc2)CC1.CC1CCC(NC(=O)c2ccc(-c3cc4c(CCc5ccccc5)c(C(=O)CC5CC5)cnc4cc3OC(F)(F)F)cc2)CC1.CC1CCC(NC(=O)c2ccc(-c3cc4c(Cc5ccccc5)c(C(=O)CC5CC5)cnc4cc3C(F)(F)F)cc2)CC1.CC1CCC(NC(=O)c2ccc(-c3cc4c(Cc5ccccc5)c(C(=O)CC5CC5)cnc4cc3F)cc2)CC1 |
| InChI | InChI=1S/C37H37F3N2O3.C36H35F3N2O2.C35H35FN2O2.C34H37FN2O2/c1-23-7-16-28(17-8-23)42-36(44)27-14-12-26(13-15-27)30-20-31-29(18-11-24-5-3-2-4-6-24)32(34(43)19-25-9-10-25)22-41-33(31)21-35(30)45-37(38,39)40;1-22-7-15-27(16-8-22)41-35(43)26-13-11-25(12-14-26)28-19-30-29(17-23-5-3-2-4-6-23)31(34(42)18-24-9-10-24)21-40-33(30)20-32(28)36(37,38)39;1-22-7-15-27(16-8-22)38-35(40)26-13-11-25(12-14-26)28-19-30-29(17-23-5-3-2-4-6-23)31(34(39)18-24-9-10-24)21-37-33(30)20-32(28)36;1-19-2-10-25(11-3-19)37-34(39)22-8-6-21(7-9-22)27-16-29-28(15-26-23-13-24(26)14-23)30(33(38)12-20-4-5-20)18-36-32(29)17-31(27)35/h2-6,12-15,20-23,25,28H,7-11,16-19H2,1H3,(H,42,44);2-6,11-14,19-22,24,27H,7-10,15-18H2,1H3,(H,41,43);2-6,11-14,19-22,24,27H,7-10,15-18H2,1H3,(H,38,40);6-9,16-20,23-26H,2-5,10-15H2,1H3,(H,37,39) |
| InChIKey | ASECCBHHFXURJJ-UHFFFAOYSA-N |
| XLogP | 33.13 |
| TPSA | 245.47 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 167 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2258.74 |
| LogP ≤ 5 | 33.13 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 13 |