(4-chloro-2-ethyl-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-ethyl-3-methylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-2-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol

C129H134Cl4F9N25O9S — CID 159865774

About (4-chloro-2-ethyl-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-ethyl-3-methylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-2-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol

(4-chloro-2-ethyl-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-ethyl-3-methylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-2-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol (PubChem CID 159865774) has the molecular formula C129H134Cl4F9N25O9S and a molecular weight of 2523.52 g/mol. Its IUPAC name is (4-chloro-2-ethyl-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-ethyl-3-methylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-2-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol.

Molecular Properties

• Compound Name: (4-chloro-2-ethyl-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-ethyl-3-methylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-2-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol
• PubChem CID: 159865774
• Molecular Formula: C129H134Cl4F9N25O9S
• Molecular Weight: 2523.52 g/mol
• Exact Mass: 2519.91
• IUPAC Name: (4-chloro-2-ethyl-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-ethyl-3-methylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-2-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol
• SMILES: CCc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1C.CCc1nc2ccc(C(O)(c3ccccc3)C3CCN(C(C)=O)CC3)cc2c(Cl)c1C.COc1cc2cc(C(O)(c3sc(C)nc3C)c3cnnn3C)ccc2nc1-c1ccccc1.COc1nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(Cl)c1CN1CCC(C)(C(F)(F)F)CC1.COc1nc2ccc(C(O)(c3cnnn3C)c3cnc(C)n3C)cc2c(Cl)c1CN1CCN(CC(F)(F)F)CC1
• InChI: InChI=1S/C29H28ClF6N5O2.C26H30ClF3N8O2.C26H29ClN2O2.C25H23N5O2S.C23H24ClN5O/c1-26(29(34,35)36)7-10-41(11-8-26)15-20-24(30)19-12-17(4-5-21(19)39-25(20)43-3)27(42,23-14-37-16-40(23)2)18-6-9-38-22(13-18)28(31,32)33;1-16-31-12-21(35(16)2)26(39,22-13-32-34-36(22)3)17-5-6-20-18(11-17)23(27)19(24(33-20)40-4)14-37-7-9-38(10-8-37)15-25(28,29)30;1-4-23-17(2)25(27)22-16-21(10-11-24(22)28-23)26(31,19-8-6-5-7-9-19)20-12-14-29(15-13-20)18(3)30;1-15-24(33-16(2)27-15)25(31,22-14-26-29-30(22)3)19-10-11-20-18(12-19)13-21(32-4)23(28-20)17-8-6-5-7-9-17;1-6-19-14(3)22(24)17-11-16(8-10-20(17)27-19)23(30,21-12-25-28-29(21)5)18-9-7-13(2)26-15(18)4/h4-6,9,12-14,16,42H,7-8,10-11,15H2,1-3H3;5-6,11-13,39H,7-10,14-15H2,1-4H3;5-11,16,20,31H,4,12-15H2,1-3H3;5-14,31H,1-4H3;7-12,30H,6H2,1-5H3
• InChIKey: NRSCJCYZGOHNOW-UHFFFAOYSA-N
• XLogP: 23.36
• TPSA: 389.76 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 26
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2523.52
LogP ≤ 5	23.36
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-ethyl-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-ethyl-3-methylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-2-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol?

The IUPAC name of (4-chloro-2-ethyl-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-ethyl-3-methylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-2-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol (CID 159865774) is (4-chloro-2-ethyl-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-ethyl-3-methylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-2-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol.

What is the SMILES notation for (4-chloro-2-ethyl-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-ethyl-3-methylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-2-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol?

The canonical SMILES for (4-chloro-2-ethyl-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-ethyl-3-methylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-2-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol is CCc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1C.CCc1nc2ccc(C(O)(c3ccccc3)C3CCN(C(C)=O)CC3)cc2c(Cl)c1C.COc1cc2cc(C(O)(c3sc(C)nc3C)c3cnnn3C)ccc2nc1-c1ccccc1.COc1nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(Cl)c1CN1CCC(C)(C(F)(F)F)CC1.COc1nc2ccc(C(O)(c3cnnn3C)c3cnc(C)n3C)cc2c(Cl)c1CN1CCN(CC(F)(F)F)CC1.

What is the InChIKey of (4-chloro-2-ethyl-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-ethyl-3-methylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-2-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol?

The InChIKey is NRSCJCYZGOHNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF6N5O2.C26H30ClF3N8O2.C26H29ClN2O2.C25H23N5O2S.C23H24ClN5O/c1-26(29(34,35)36)7-10-41(11-8-26)15-20-24(30)19-12-17(4-5-21(19)39-25(20)43-3)27(42,23-14-37-16-40(23)2)18-6-9-38-22(13-18)28(31,32)33;1-16-31-12-21(35(16)2)26(39,22-13-32-34-36(22)3)17-5-6-20-18(11-17)23(27)19(24(33-20)40-4)14-37-7-9-38(10-8-37)15-25(28,29)30;1-4-23-17(2)25(27)22-16-21(10-11-24(22)28-23)26(31,19-8-6-5-7-9-19)20-12-14-29(15-13-20)18(3)30;1-15-24(33-16(2)27-15)25(31,22-14-26-29-30(22)3)19-10-11-20-18(12-19)13-21(32-4)23(28-20)17-8-6-5-7-9-17;1-6-19-14(3)22(24)17-11-16(8-10-20(17)27-19)23(30,21-12-25-28-29(21)5)18-9-7-13(2)26-15(18)4/h4-6,9,12-14,16,42H,7-8,10-11,15H2,1-3H3;5-6,11-13,39H,7-10,14-15H2,1-4H3;5-11,16,20,31H,4,12-15H2,1-3H3;5-14,31H,1-4H3;7-12,30H,6H2,1-5H3.

What are the key properties of (4-chloro-2-ethyl-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-ethyl-3-methylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-2-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol?

(4-chloro-2-ethyl-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-ethyl-3-methylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-2-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol has a molecular weight of 2523.52 g/mol, XLogP of 23.36, 26 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for (4-chloro-2-ethyl-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-ethyl-3-methylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-2-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 159865774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).