C140H144Cl7F6N31O11 — CID 158589575
(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol (PubChem CID 158589575) has the molecular formula C140H144Cl7F6N31O11 and a molecular weight of 2799.06 g/mol. Its IUPAC name is (4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol.
| Compound Name | (4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol |
|---|---|
| PubChem CID | 158589575 |
| Molecular Formula | C140H144Cl7F6N31O11 |
| Molecular Weight | 2799.06 g/mol |
| Exact Mass | 2793.94 |
| IUPAC Name | (4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol |
| SMILES | COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1CN1CCC(n2cccn2)CC1.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1CN1CCC(n2cccn2)CC1.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1OC(C)C.COc1nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(Cl)c1CN1CCC(C(F)(F)F)CC1.COc1nc2ccc(C(O)(c3cnnn3C)c3cnc(C)n3C)cc2c(Cl)c1CN1CCC(n2cccn2)CC1 |
| InChI | InChI=1S/C30H30Cl2N6O2.C30H33ClN8O2.C28H26ClF6N5O2.C28H32ClN9O2.C24H23Cl2N3O3/c1-36-19-33-17-27(36)30(39,20-4-7-22(31)8-5-20)21-6-9-26-24(16-21)28(32)25(29(35-26)40-2)18-37-14-10-23(11-15-37)38-13-3-12-34-38;1-19-6-8-25(20(2)34-19)30(40,27-17-32-36-37(27)3)21-7-9-26-23(16-21)28(31)24(29(35-26)41-4)18-38-14-10-22(11-15-38)39-13-5-12-33-39;1-39-15-36-13-23(39)26(41,18-5-8-37-22(12-18)28(33,34)35)17-3-4-21-19(11-17)24(29)20(25(38-21)42-2)14-40-9-6-16(7-10-40)27(30,31)32;1-18-30-15-24(35(18)2)28(39,25-16-31-34-36(25)3)19-6-7-23-21(14-19)26(29)22(27(33-23)40-4)17-37-12-8-20(9-13-37)38-11-5-10-32-38;1-14(2)32-22-21(26)18-11-16(7-10-19(18)28-23(22)31-4)24(30,20-12-27-13-29(20)3)15-5-8-17(25)9-6-15/h3-9,12-13,16-17,19,23,39H,10-11,14-15,18H2,1-2H3;5-9,12-13,16-17,22,40H,10-11,14-15,18H2,1-4H3;3-5,8,11-13,15-16,41H,6-7,9-10,14H2,1-2H3;5-7,10-11,14-16,20,39H,8-9,12-13,17H2,1-4H3;5-14,30H,1-4H3 |
| InChIKey | HUGWGSJKZLLGII-UHFFFAOYSA-N |
| XLogP | 24.80 |
| TPSA | 445.88 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 42 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 195 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2799.06 |
| LogP ≤ 5 | 24.80 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 42 |