[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-3-cyclohexyl-2-pyridin-3-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;[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

C151H134Cl9F6N17O7 — CID 157054122

About [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-3-cyclohexyl-2-pyridin-3-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;[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

[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-3-cyclohexyl-2-pyridin-3-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;[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 157054122) has the molecular formula C151H134Cl9F6N17O7 and a molecular weight of 2731.91 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-3-cyclohexyl-2-pyridin-3-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;[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.

Molecular Properties

• 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-3-cyclohexyl-2-pyridin-3-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;[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: 157054122
• Molecular Formula: C151H134Cl9F6N17O7
• Molecular Weight: 2731.91 g/mol
• Exact Mass: 2725.78
• 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-3-cyclohexyl-2-pyridin-3-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;[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.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(N3CCC3)c(OCc3ccccc3)c(Cl)c2c1.OC(c1cccnc1)(c1cccc(Cl)c1)c1ccc2nc(-c3cccnc3)c(C3CCCCC3)c(Cl)c2c1
• InChI: InChI=1S/C33H28Cl2N2O.C32H27Cl2N3O.C31H33ClF3N5O2.C30H25ClF3N5O2.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;33-26-12-4-10-23(17-26)32(38,25-11-6-16-36-20-25)24-13-14-28-27(18-24)30(34)29(21-7-2-1-3-8-21)31(37-28)22-9-5-15-35-19-22;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;1-24(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;4-6,9-21,38H,1-3,7-8H2;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;4-14,31H,1-3H3/b16-14+
• InChIKey: AANWOQUFOSVQGP-YQYAMKSKSA-N
• XLogP: 36.81
• TPSA: 303.52 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 28
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2731.91
LogP ≤ 5	36.81
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [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-3-cyclohexyl-2-pyridin-3-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;[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?

The IUPAC name of [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-3-cyclohexyl-2-pyridin-3-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;[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 (CID 157054122) 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-3-cyclohexyl-2-pyridin-3-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;[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.

What is the SMILES notation for [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-3-cyclohexyl-2-pyridin-3-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;[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?

The canonical SMILES for [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-3-cyclohexyl-2-pyridin-3-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;[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 is 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.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(N3CCC3)c(OCc3ccccc3)c(Cl)c2c1.OC(c1cccnc1)(c1cccc(Cl)c1)c1ccc2nc(-c3cccnc3)c(C3CCCCC3)c(Cl)c2c1.

What is the InChIKey of [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-3-cyclohexyl-2-pyridin-3-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;[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?

The InChIKey is AANWOQUFOSVQGP-YQYAMKSKSA-N. The full InChI is InChI=1S/C33H28Cl2N2O.C32H27Cl2N3O.C31H33ClF3N5O2.C30H25ClF3N5O2.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;33-26-12-4-10-23(17-26)32(38,25-11-6-16-36-20-25)24-13-14-28-27(18-24)30(34)29(21-7-2-1-3-8-21)31(37-28)22-9-5-15-35-19-22;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;1-24(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;4-6,9-21,38H,1-3,7-8H2;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;4-14,31H,1-3H3/b16-14+;;;;.

What are the key properties of [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-3-cyclohexyl-2-pyridin-3-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;[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?

[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-3-cyclohexyl-2-pyridin-3-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;[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 has a molecular weight of 2731.91 g/mol, XLogP of 36.81, 28 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for [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-3-cyclohexyl-2-pyridin-3-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;[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 is sourced from PubChem (CID 157054122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).