[2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-ethyl-3-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol

C119H106Cl6F14N20O13 — CID 157329461

IUPAC[2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-ethyl-3-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESCC(C)Oc1c(N2CCC2)nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c1Cl.CCOc1c(OC)nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c1Cl.CCOc1c(OC)nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c1Cl.CCc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1OC.COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1OCC(C)(F)F
InChIInChI=1S/C26H25ClF3N5O2.C24H20ClF5N4O3.C23H21Cl2N3O3.C23H20ClF3N4O3.C23H20ClF3N4O2/c1-15(2)37-23-22(27)18-11-16(5-7-19(18)33-24(23)35-9-4-10-35)25(36,21-13-31-14-34(21)3)17-6-8-20(32-12-17)26(28,29)30;1-22(26,27)11-37-20-19(25)15-8-13(4-6-16(15)33-21(20)36-3)23(35,18-10-31-12-34(18)2)14-5-7-17(32-9-14)24(28,29)30;1-4-31-21-20(25)17-11-15(7-10-18(17)27-22(21)30-3)23(29,19-12-26-13-28(19)2)14-5-8-16(24)9-6-14;1-4-34-20-19(24)15-9-13(5-7-16(15)30-21(20)33-3)22(32,18-11-28-12-31(18)2)14-6-8-17(29-10-14)23(25,26)27;1-4-16-21(33-3)20(24)15-9-13(5-7-17(15)30-16)22(32,19-11-28-12-31(19)2)14-6-8-18(29-10-14)23(25,26)27/h5-8,11-15,36H,4,9-10H2,1-3H3;4-10,12,35H,11H2,1-3H3;5-13,29H,4H2,1-3H3;5-12,32H,4H2,1-3H3;5-12,32H,4H2,1-3H3
InChIKeyBFCQBHBRSAWDIH-UHFFFAOYSA-N
MW2502.97 g/mol
LogP25.26
Rot. Bonds30

About [2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-ethyl-3-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol

[2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-ethyl-3-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 157329461) has the molecular formula C119H106Cl6F14N20O13 and a molecular weight of 2502.97 g/mol. Its IUPAC name is [2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-ethyl-3-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-ethyl-3-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID157329461
Molecular FormulaC119H106Cl6F14N20O13
Molecular Weight2502.97 g/mol
Exact Mass2498.62
IUPAC Name[2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-ethyl-3-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESCC(C)Oc1c(N2CCC2)nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c1Cl.CCOc1c(OC)nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c1Cl.CCOc1c(OC)nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c1Cl.CCc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1OC.COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1OCC(C)(F)F
InChIInChI=1S/C26H25ClF3N5O2.C24H20ClF5N4O3.C23H21Cl2N3O3.C23H20ClF3N4O3.C23H20ClF3N4O2/c1-15(2)37-23-22(27)18-11-16(5-7-19(18)33-24(23)35-9-4-10-35)25(36,21-13-31-14-34(21)3)17-6-8-20(32-12-17)26(28,29)30;1-22(26,27)11-37-20-19(25)15-8-13(4-6-16(15)33-21(20)36-3)23(35,18-10-31-12-34(18)2)14-5-7-17(32-9-14)24(28,29)30;1-4-31-21-20(25)17-11-15(7-10-18(17)27-22(21)30-3)23(29,19-12-26-13-28(19)2)14-5-8-16(24)9-6-14;1-4-34-20-19(24)15-9-13(5-7-16(15)30-21(20)33-3)22(32,18-11-28-12-31(18)2)14-6-8-17(29-10-14)23(25,26)27;1-4-16-21(33-3)20(24)15-9-13(5-7-17(15)30-16)22(32,19-11-28-12-31(19)2)14-6-8-18(29-10-14)23(25,26)27/h5-8,11-15,36H,4,9-10H2,1-3H3;4-10,12,35H,11H2,1-3H3;5-13,29H,4H2,1-3H3;5-12,32H,4H2,1-3H3;5-12,32H,4H2,1-3H3
InChIKeyBFCQBHBRSAWDIH-UHFFFAOYSA-N
XLogP25.26
TPSA383.34 Ų
H-Bond Donors5
H-Bond Acceptors33
Rotatable Bonds30
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002502.97
LogP ≤ 525.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1033

Analyze [2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-ethyl-3-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-(Azetidin-1-yl)-4-chloro-3-(4-chlorophenoxy)quinolin-6-yl)(1-methyl-1H-imidazol-5-yl)(6-(trifluoromethyl)pyridin-3-yl)methanol
CID 86715463
(4-Chloro-2-ethoxy-3-(4-fluorophenoxy)quinolin-6-yl)(1-methyl-1H-imidazol-5-yl)(6-(trifluoromethyl)pyridin-3-yl)methanol
CID 74223889
US10201546, Example 98
CID 118022139
US10201546, Example 90a
CID 118023060
US10201546, Example 31
CID 118031199
US10201546, Example 89b
CID 138637587
US10201546, Example 78b
CID 138805749
US10201546, Example 79c
CID 138805752
US10201546, Example 86b
CID 138805761
US10201546, Example 86c
CID 138805762
US10201546, Example 89c
CID 138805767
US10201546, Example 90c
CID 138805769

Frequently Asked Questions

What is the IUPAC name of [2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-ethyl-3-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of [2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-ethyl-3-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol (CID 157329461) is [2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-ethyl-3-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-ethyl-3-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for [2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-ethyl-3-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol is CC(C)Oc1c(N2CCC2)nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c1Cl.CCOc1c(OC)nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c1Cl.CCOc1c(OC)nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c1Cl.CCc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1OC.COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1OCC(C)(F)F.
What is the InChIKey of [2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-ethyl-3-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is BFCQBHBRSAWDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClF3N5O2.C24H20ClF5N4O3.C23H21Cl2N3O3.C23H20ClF3N4O3.C23H20ClF3N4O2/c1-15(2)37-23-22(27)18-11-16(5-7-19(18)33-24(23)35-9-4-10-35)25(36,21-13-31-14-34(21)3)17-6-8-20(32-12-17)26(28,29)30;1-22(26,27)11-37-20-19(25)15-8-13(4-6-16(15)33-21(20)36-3)23(35,18-10-31-12-34(18)2)14-5-7-17(32-9-14)24(28,29)30;1-4-31-21-20(25)17-11-15(7-10-18(17)27-22(21)30-3)23(29,19-12-26-13-28(19)2)14-5-8-16(24)9-6-14;1-4-34-20-19(24)15-9-13(5-7-16(15)30-21(20)33-3)22(32,18-11-28-12-31(18)2)14-6-8-17(29-10-14)23(25,26)27;1-4-16-21(33-3)20(24)15-9-13(5-7-17(15)30-16)22(32,19-11-28-12-31(19)2)14-6-8-18(29-10-14)23(25,26)27/h5-8,11-15,36H,4,9-10H2,1-3H3;4-10,12,35H,11H2,1-3H3;5-13,29H,4H2,1-3H3;5-12,32H,4H2,1-3H3;5-12,32H,4H2,1-3H3.
What are the key properties of [2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-ethyl-3-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?
[2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-ethyl-3-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 2502.97 g/mol, XLogP of 25.26, 30 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-ethyl-3-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 157329461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).