C146H132Cl8F9N19O8 — CID 157314465
[2-(azetidin-1-yl)-4-chloro-3-phenylmethoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-tert-butyl-4-chloro-2-[(E)-2-phenylethenyl]quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol;(3-tert-butyl-2,4-dichloroquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-[2-(1-prop-1-en-2-ylpiperidin-4-yl)ethyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 157314465) has the molecular formula C146H132Cl8F9N19O8 and a molecular weight of 2735.39 g/mol. Its IUPAC name is [2-(azetidin-1-yl)-4-chloro-3-phenylmethoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-tert-butyl-4-chloro-2-[(E)-2-phenylethenyl]quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol;(3-tert-butyl-2,4-dichloroquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-[2-(1-prop-1-en-2-ylpiperidin-4-yl)ethyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol.
| Compound Name | [2-(azetidin-1-yl)-4-chloro-3-phenylmethoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-tert-butyl-4-chloro-2-[(E)-2-phenylethenyl]quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol;(3-tert-butyl-2,4-dichloroquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-[2-(1-prop-1-en-2-ylpiperidin-4-yl)ethyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol |
|---|---|
| PubChem CID | 157314465 |
| Molecular Formula | C146H132Cl8F9N19O8 |
| Molecular Weight | 2735.39 g/mol |
| Exact Mass | 2729.79 |
| IUPAC Name | [2-(azetidin-1-yl)-4-chloro-3-phenylmethoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-tert-butyl-4-chloro-2-[(E)-2-phenylethenyl]quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol;(3-tert-butyl-2,4-dichloroquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-[2-(1-prop-1-en-2-ylpiperidin-4-yl)ethyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol |
| SMILES | C=C(C)N1CCC(CCc2c(OC)nc3ccc(C(O)(c4ccc(C(F)(F)F)nc4)c4cncn4C)cc3c2Cl)CC1.CC(C)(C)c1c(/C=C/c2ccccc2)nc2ccc(C(O)(c3cccnc3)c3cccc(Cl)c3)cc2c1Cl.CC(C)(C)c1c(Cl)nc2ccc(C(O)(c3cccnc3)c3cccc(Cl)c3)cc2c1Cl.COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1C1=CCN(C)CC1.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(N3CCC3)c(OCc3ccccc3)c(Cl)c2c1 |
| InChI | InChI=1S/C33H28Cl2N2O.C31H33ClF3N5O2.C30H25ClF3N5O2.C27H25ClF3N5O2.C25H21Cl3N2O/c1-32(2,3)30-29(16-14-22-9-5-4-6-10-22)37-28-17-15-24(20-27(28)31(30)35)33(38,25-12-8-18-36-21-25)23-11-7-13-26(34)19-23;1-19(2)40-13-11-20(12-14-40)5-8-23-28(32)24-15-21(6-9-25(24)38-29(23)42-4)30(41,27-17-36-18-39(27)3)22-7-10-26(37-16-22)31(33,34)35;1-38-18-35-16-25(38)29(40,21-9-11-24(36-15-21)30(32,33)34)20-8-10-23-22(14-20)26(31)27(28(37-23)39-12-5-13-39)41-17-19-6-3-2-4-7-19;1-35-10-8-16(9-11-35)23-24(28)19-12-17(4-6-20(19)34-25(23)38-3)26(37,22-14-32-15-36(22)2)18-5-7-21(33-13-18)27(29,30)31;1-24(2,3)21-22(27)19-13-16(9-10-20(19)30-23(21)28)25(31,17-7-5-11-29-14-17)15-6-4-8-18(26)12-15/h4-21,38H,1-3H3;6-7,9-10,15-18,20,41H,1,5,8,11-14H2,2-4H3;2-4,6-11,14-16,18,40H,5,12-13,17H2,1H3;4-8,12-15,37H,9-11H2,1-3H3;4-14,31H,1-3H3/b16-14+;;;; |
| InChIKey | BDKSVVAGFMWMCB-YQYAMKSKSA-N |
| XLogP | 33.52 |
| TPSA | 320.92 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 190 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2735.39 |
| LogP ≤ 5 | 33.52 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 27 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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