[2-(azetidin-1-yl)-4-chloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2-(azetidin-1-yl)-4-chloro-3-(2,2-difluoropropoxy)quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)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-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)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

C174H158Cl10F16N28O18 — CID 157068483

IUPAC[2-(azetidin-1-yl)-4-chloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2-(azetidin-1-yl)-4-chloro-3-(2,2-difluoropropoxy)quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)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-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)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
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.COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1OCC1CC1.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1OCC(C)(F)F.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(N3CCC3)c(OCC3CC3)c(Cl)c2c1.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(N3CCC3)c(OCC(C)(F)F)c(Cl)c2c1
InChIInChI=1S/C27H25ClF3N5O2.C26H24Cl2F2N4O2.C26H25ClF3N5O2.C25H22ClF3N4O3.C24H21Cl2F2N3O3.C23H21Cl2N3O3.C23H20ClF3N4O3/c1-35-15-32-13-22(35)26(37,18-6-8-21(33-12-18)27(29,30)31)17-5-7-20-19(11-17)23(28)24(38-14-16-3-4-16)25(34-20)36-9-2-10-36;1-25(29,30)14-36-23-22(28)19-12-17(6-9-20(19)32-24(23)34-10-3-11-34)26(35,21-13-31-15-33(21)2)16-4-7-18(27)8-5-16;1-15(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;1-33-13-30-11-20(33)24(34,16-6-8-19(31-10-16)25(27,28)29)15-5-7-18-17(9-15)21(26)22(23(32-18)35-2)36-12-14-3-4-14;1-23(27,28)12-34-21-20(26)17-10-15(6-9-18(17)30-22(21)33-3)24(32,19-11-29-13-31(19)2)14-4-7-16(25)8-5-14;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/h5-8,11-13,15-16,37H,2-4,9-10,14H2,1H3;4-9,12-13,15,35H,3,10-11,14H2,1-2H3;5-8,11-15,36H,4,9-10H2,1-3H3;5-11,13-14,34H,3-4,12H2,1-2H3;4-11,13,32H,12H2,1-3H3;5-13,29H,4H2,1-3H3;5-12,32H,4H2,1-3H3
InChIKeyACDQCOZXKIYJKJ-UHFFFAOYSA-N
MW3587.85 g/mol
LogP36.85
Rot. Bonds46

About [2-(azetidin-1-yl)-4-chloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2-(azetidin-1-yl)-4-chloro-3-(2,2-difluoropropoxy)quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)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-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)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

[2-(azetidin-1-yl)-4-chloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2-(azetidin-1-yl)-4-chloro-3-(2,2-difluoropropoxy)quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)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-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)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 (PubChem CID 157068483) has the molecular formula C174H158Cl10F16N28O18 and a molecular weight of 3587.85 g/mol. Its IUPAC name is [2-(azetidin-1-yl)-4-chloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2-(azetidin-1-yl)-4-chloro-3-(2,2-difluoropropoxy)quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)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-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)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.

Molecular Properties

Compound Name[2-(azetidin-1-yl)-4-chloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2-(azetidin-1-yl)-4-chloro-3-(2,2-difluoropropoxy)quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)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-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)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
PubChem CID157068483
Molecular FormulaC174H158Cl10F16N28O18
Molecular Weight3587.85 g/mol
Exact Mass3580.89
IUPAC Name[2-(azetidin-1-yl)-4-chloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2-(azetidin-1-yl)-4-chloro-3-(2,2-difluoropropoxy)quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)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-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)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
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.COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1OCC1CC1.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1OCC(C)(F)F.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(N3CCC3)c(OCC3CC3)c(Cl)c2c1.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(N3CCC3)c(OCC(C)(F)F)c(Cl)c2c1
InChIInChI=1S/C27H25ClF3N5O2.C26H24Cl2F2N4O2.C26H25ClF3N5O2.C25H22ClF3N4O3.C24H21Cl2F2N3O3.C23H21Cl2N3O3.C23H20ClF3N4O3/c1-35-15-32-13-22(35)26(37,18-6-8-21(33-12-18)27(29,30)31)17-5-7-20-19(11-17)23(28)24(38-14-16-3-4-16)25(34-20)36-9-2-10-36;1-25(29,30)14-36-23-22(28)19-12-17(6-9-20(19)32-24(23)34-10-3-11-34)26(35,21-13-31-15-33(21)2)16-4-7-18(27)8-5-16;1-15(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;1-33-13-30-11-20(33)24(34,16-6-8-19(31-10-16)25(27,28)29)15-5-7-18-17(9-15)21(26)22(23(32-18)35-2)36-12-14-3-4-14;1-23(27,28)12-34-21-20(26)17-10-15(6-9-18(17)30-22(21)33-3)24(32,19-11-29-13-31(19)2)14-4-7-16(25)8-5-14;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/h5-8,11-13,15-16,37H,2-4,9-10,14H2,1H3;4-9,12-13,15,35H,3,10-11,14H2,1-2H3;5-8,11-15,36H,4,9-10H2,1-3H3;5-11,13-14,34H,3-4,12H2,1-2H3;4-11,13,32H,12H2,1-3H3;5-13,29H,4H2,1-3H3;5-12,32H,4H2,1-3H3
InChIKeyACDQCOZXKIYJKJ-UHFFFAOYSA-N
XLogP36.85
TPSA519.39 Ų
H-Bond Donors7
H-Bond Acceptors46
Rotatable Bonds46
Heavy Atoms246
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003587.85
LogP ≤ 536.85
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1046

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

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Frequently Asked Questions

What is the IUPAC name of [2-(azetidin-1-yl)-4-chloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2-(azetidin-1-yl)-4-chloro-3-(2,2-difluoropropoxy)quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)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-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)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?
The IUPAC name of [2-(azetidin-1-yl)-4-chloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2-(azetidin-1-yl)-4-chloro-3-(2,2-difluoropropoxy)quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)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-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)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 (CID 157068483) is [2-(azetidin-1-yl)-4-chloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2-(azetidin-1-yl)-4-chloro-3-(2,2-difluoropropoxy)quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)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-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)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.
What is the SMILES notation for [2-(azetidin-1-yl)-4-chloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2-(azetidin-1-yl)-4-chloro-3-(2,2-difluoropropoxy)quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)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-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)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?
The canonical SMILES for [2-(azetidin-1-yl)-4-chloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2-(azetidin-1-yl)-4-chloro-3-(2,2-difluoropropoxy)quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)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-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)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 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.COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1OCC1CC1.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1OCC(C)(F)F.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(N3CCC3)c(OCC3CC3)c(Cl)c2c1.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(N3CCC3)c(OCC(C)(F)F)c(Cl)c2c1.
What is the InChIKey of [2-(azetidin-1-yl)-4-chloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2-(azetidin-1-yl)-4-chloro-3-(2,2-difluoropropoxy)quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)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-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)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?
The InChIKey is ACDQCOZXKIYJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClF3N5O2.C26H24Cl2F2N4O2.C26H25ClF3N5O2.C25H22ClF3N4O3.C24H21Cl2F2N3O3.C23H21Cl2N3O3.C23H20ClF3N4O3/c1-35-15-32-13-22(35)26(37,18-6-8-21(33-12-18)27(29,30)31)17-5-7-20-19(11-17)23(28)24(38-14-16-3-4-16)25(34-20)36-9-2-10-36;1-25(29,30)14-36-23-22(28)19-12-17(6-9-20(19)32-24(23)34-10-3-11-34)26(35,21-13-31-15-33(21)2)16-4-7-18(27)8-5-16;1-15(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;1-33-13-30-11-20(33)24(34,16-6-8-19(31-10-16)25(27,28)29)15-5-7-18-17(9-15)21(26)22(23(32-18)35-2)36-12-14-3-4-14;1-23(27,28)12-34-21-20(26)17-10-15(6-9-18(17)30-22(21)33-3)24(32,19-11-29-13-31(19)2)14-4-7-16(25)8-5-14;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/h5-8,11-13,15-16,37H,2-4,9-10,14H2,1H3;4-9,12-13,15,35H,3,10-11,14H2,1-2H3;5-8,11-15,36H,4,9-10H2,1-3H3;5-11,13-14,34H,3-4,12H2,1-2H3;4-11,13,32H,12H2,1-3H3;5-13,29H,4H2,1-3H3;5-12,32H,4H2,1-3H3.
What are the key properties of [2-(azetidin-1-yl)-4-chloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2-(azetidin-1-yl)-4-chloro-3-(2,2-difluoropropoxy)quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)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-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)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?
[2-(azetidin-1-yl)-4-chloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2-(azetidin-1-yl)-4-chloro-3-(2,2-difluoropropoxy)quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)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-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)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 has a molecular weight of 3587.85 g/mol, XLogP of 36.85, 46 rotatable bonds, 7 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azetidin-1-yl)-4-chloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2-(azetidin-1-yl)-4-chloro-3-(2,2-difluoropropoxy)quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)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-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)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 is sourced from PubChem (CID 157068483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).