[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(3-methyloxetan-3-yl)methoxy]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol

C128H131Cl5F9N21O17S — CID 157495710

About [4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(3-methyloxetan-3-yl)methoxy]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol

[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(3-methyloxetan-3-yl)methoxy]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol (PubChem CID 157495710) has the molecular formula C128H131Cl5F9N21O17S and a molecular weight of 2615.90 g/mol. Its IUPAC name is [4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(3-methyloxetan-3-yl)methoxy]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol.

Molecular Properties

• Compound Name: [4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(3-methyloxetan-3-yl)methoxy]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
• PubChem CID: 157495710
• Molecular Formula: C128H131Cl5F9N21O17S
• Molecular Weight: 2615.90 g/mol
• Exact Mass: 2611.81
• IUPAC Name: [4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(3-methyloxetan-3-yl)methoxy]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
• SMILES: C=C(c1c(OC)nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c1Cl)N1CCC(C(F)(F)F)CC1.COCCOc1c(OC)nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c1Cl.COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1OCC1(C)COC1.COc1nc2ccc(C(O)(c3ccccc3)C3CCN(C(C)=O)CC3)cc2c(Cl)c1OC(C)C.COc1nc2ccc(C(O)(c3sc(C)nc3C)c3cnnn3C)cc2c(Cl)c1OC(C)C
• InChI: InChI=1S/C29H30ClF3N6O2.C27H31ClN2O4.C26H24ClF3N4O4.C24H22ClF3N4O4.C22H24ClN5O3S/c1-16-6-8-22(17(2)35-16)28(40,24-15-34-37-38(24)4)20-7-9-23-21(14-20)26(30)25(27(36-23)41-5)18(3)39-12-10-19(11-13-39)29(31,32)33;1-17(2)34-25-24(28)22-16-21(10-11-23(22)29-26(25)33-4)27(32,19-8-6-5-7-9-19)20-12-14-30(15-13-20)18(3)31;1-24(11-37-12-24)13-38-22-21(27)17-8-15(4-6-18(17)33-23(22)36-3)25(35,20-10-31-14-34(20)2)16-5-7-19(32-9-16)26(28,29)30;1-32-13-29-12-19(32)23(33,15-5-7-18(30-11-15)24(26,27)28)14-4-6-17-16(10-14)20(25)21(22(31-17)35-3)36-9-8-34-2;1-11(2)31-19-18(23)15-9-14(7-8-16(15)26-21(19)30-6)22(29,17-10-24-27-28(17)5)20-12(3)25-13(4)32-20/h6-9,14-15,19,40H,3,10-13H2,1-2,4-5H3;5-11,16-17,20,32H,12-15H2,1-4H3;4-10,14,35H,11-13H2,1-3H3;4-7,10-13,33H,8-9H2,1-3H3;7-11,29H,1-6H3
• InChIKey: BXURVMCVFLSHAV-UHFFFAOYSA-N
• XLogP: 24.01
• TPSA: 439.30 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 38
• Rotatable Bonds: 33
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2615.90
LogP ≤ 5	24.01
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(3-methyloxetan-3-yl)methoxy]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?

The IUPAC name of [4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(3-methyloxetan-3-yl)methoxy]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol (CID 157495710) is [4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(3-methyloxetan-3-yl)methoxy]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol.

What is the SMILES notation for [4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(3-methyloxetan-3-yl)methoxy]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?

The canonical SMILES for [4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(3-methyloxetan-3-yl)methoxy]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol is C=C(c1c(OC)nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c1Cl)N1CCC(C(F)(F)F)CC1.COCCOc1c(OC)nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c1Cl.COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1OCC1(C)COC1.COc1nc2ccc(C(O)(c3ccccc3)C3CCN(C(C)=O)CC3)cc2c(Cl)c1OC(C)C.COc1nc2ccc(C(O)(c3sc(C)nc3C)c3cnnn3C)cc2c(Cl)c1OC(C)C.

What is the InChIKey of [4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(3-methyloxetan-3-yl)methoxy]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?

The InChIKey is BXURVMCVFLSHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClF3N6O2.C27H31ClN2O4.C26H24ClF3N4O4.C24H22ClF3N4O4.C22H24ClN5O3S/c1-16-6-8-22(17(2)35-16)28(40,24-15-34-37-38(24)4)20-7-9-23-21(14-20)26(30)25(27(36-23)41-5)18(3)39-12-10-19(11-13-39)29(31,32)33;1-17(2)34-25-24(28)22-16-21(10-11-23(22)29-26(25)33-4)27(32,19-8-6-5-7-9-19)20-12-14-30(15-13-20)18(3)31;1-24(11-37-12-24)13-38-22-21(27)17-8-15(4-6-18(17)33-23(22)36-3)25(35,20-10-31-14-34(20)2)16-5-7-19(32-9-16)26(28,29)30;1-32-13-29-12-19(32)23(33,15-5-7-18(30-11-15)24(26,27)28)14-4-6-17-16(10-14)20(25)21(22(31-17)35-3)36-9-8-34-2;1-11(2)31-19-18(23)15-9-14(7-8-16(15)26-21(19)30-6)22(29,17-10-24-27-28(17)5)20-12(3)25-13(4)32-20/h6-9,14-15,19,40H,3,10-13H2,1-2,4-5H3;5-11,16-17,20,32H,12-15H2,1-4H3;4-10,14,35H,11-13H2,1-3H3;4-7,10-13,33H,8-9H2,1-3H3;7-11,29H,1-6H3.

What are the key properties of [4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(3-methyloxetan-3-yl)methoxy]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?

[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(3-methyloxetan-3-yl)methoxy]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol has a molecular weight of 2615.90 g/mol, XLogP of 24.01, 33 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for [4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(3-methyloxetan-3-yl)methoxy]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 157495710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).