[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-pyridin-3-ylmethanol

C123H104Cl5F3N16O9 — CID 159020256

IUPAC[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-pyridin-3-ylmethanol
SMILESCOc1ccc(C(O)(c2cccnc2)c2ccc3nc(OC)c(Cc4ccc(-n5cccn5)cc4)c(Cl)c3c2)cc1.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cccnc3)cc2c(Cl)c1Cc1ccc(-n2cccc2)cc1.COc1nc2ccc(C(O)(c3ccccn3)c3cncn3C)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1Cc1ccc(F)cc1
InChIInChI=1S/C33H25Cl2N3O2.C33H27ClN4O3.C29H25ClF2N4O2.C28H27ClFN5O2/c1-40-32-29(19-22-6-13-27(14-7-22)38-17-2-3-18-38)31(35)28-20-24(10-15-30(28)37-32)33(39,25-5-4-16-36-21-25)23-8-11-26(34)12-9-23;1-40-27-13-8-23(9-14-27)33(39,25-5-3-16-35-21-25)24-10-15-30-28(20-24)31(34)29(32(37-30)41-2)19-22-6-11-26(12-7-22)38-18-4-17-36-38;1-28(31,32)19-9-7-18(8-10-19)14-22-26(30)21-15-20(11-12-23(21)35-27(22)38-3)29(37,24-6-4-5-13-34-24)25-16-33-17-36(25)2;1-16-31-14-24(34(16)3)28(36,25-15-32-17(2)35(25)4)19-8-11-23-21(13-19)26(29)22(27(33-23)37-5)12-18-6-9-20(30)10-7-18/h2-18,20-21,39H,19H2,1H3;3-18,20-21,39H,19H2,1-2H3;4-13,15-17,37H,14H2,1-3H3;6-11,13-15,36H,12H2,1-5H3
InChIKeyJTPHGSASMKXAPG-UHFFFAOYSA-N
MW2184.55 g/mol
LogP24.98
Rot. Bonds28

About [4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-pyridin-3-ylmethanol

[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-pyridin-3-ylmethanol (PubChem CID 159020256) has the molecular formula C123H104Cl5F3N16O9 and a molecular weight of 2184.55 g/mol. Its IUPAC name is [4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-pyridin-3-ylmethanol
PubChem CID159020256
Molecular FormulaC123H104Cl5F3N16O9
Molecular Weight2184.55 g/mol
Exact Mass2180.66
IUPAC Name[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-pyridin-3-ylmethanol
SMILESCOc1ccc(C(O)(c2cccnc2)c2ccc3nc(OC)c(Cc4ccc(-n5cccn5)cc4)c(Cl)c3c2)cc1.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cccnc3)cc2c(Cl)c1Cc1ccc(-n2cccc2)cc1.COc1nc2ccc(C(O)(c3ccccn3)c3cncn3C)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1Cc1ccc(F)cc1
InChIInChI=1S/C33H25Cl2N3O2.C33H27ClN4O3.C29H25ClF2N4O2.C28H27ClFN5O2/c1-40-32-29(19-22-6-13-27(14-7-22)38-17-2-3-18-38)31(35)28-20-24(10-15-30(28)37-32)33(39,25-5-4-16-36-21-25)23-8-11-26(34)12-9-23;1-40-27-13-8-23(9-14-27)33(39,25-5-3-16-35-21-25)24-10-15-30-28(20-24)31(34)29(32(37-30)41-2)19-22-6-11-26(12-7-22)38-18-4-17-36-38;1-28(31,32)19-9-7-18(8-10-19)14-22-26(30)21-15-20(11-12-23(21)35-27(22)38-3)29(37,24-6-4-5-13-34-24)25-16-33-17-36(25)2;1-16-31-14-24(34(16)3)28(36,25-15-32-17(2)35(25)4)19-8-11-23-21(13-19)26(29)22(27(33-23)37-5)12-18-6-9-20(30)10-7-18/h2-18,20-21,39H,19H2,1H3;3-18,20-21,39H,19H2,1-2H3;4-13,15-17,37H,14H2,1-3H3;6-11,13-15,36H,12H2,1-5H3
InChIKeyJTPHGSASMKXAPG-UHFFFAOYSA-N
XLogP24.98
TPSA293.51 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds28
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002184.55
LogP ≤ 524.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Analyze [4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-pyridin-3-ylmethanol with MolForge

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Related Compounds

[2,4-Dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(6-methoxy-3-pyridinyl)-(3-methylimidazol-4-yl)methanol
CID 74221461
[4-Chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(6-methoxy-3-pyridinyl)-(3-methylimidazol-4-yl)methanol
CID 74221462
(3-(4-(1H-Pyrazol-1-yl)benzyl)-4-chloro-2-methoxy-8-methylquinolin-6-yl)(1-methyl-1H-imidazol-5-yl)(6-(trifluoromethyl)pyridin-3-yl)methanol
CID 86715664
US10201546, Example 196
CID 118022030
[4-Chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol
CID 117880581
[4-Chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[2,4-dichloro-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol
CID 118022862
[4-Chloro-3-[[4-[3-(1,1-difluoroethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol
CID 118031243
[3-[[[3-[[6-[Bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]quinolin-2-yl]oxymethyl]-5-(trifluoromethyl)cyclohexyl]amino]methyl]-4-chloro-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol
CID 129035502
2-[[1-[4-[[4-Chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(2-methoxyethoxy)quinolin-3-yl]methyl]phenyl]pyrazol-3-yl]methoxy]-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline-4-carbonitrile
CID 146259702
Azetidin-3-yl-[4-chloro-2-[[1-[4-[[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-[2-methoxyethyl(methyl)amino]quinolin-3-yl]methyl]phenyl]pyrazol-3-yl]methoxy]-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethylpyridin-3-yl)methanol
CID 146259769
[4-Chloro-3-[[4-[4-[[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-2-yl]oxymethyl]pyrazol-1-yl]phenyl]methyl]-2-(dimethylamino)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)pyridin-3-yl]methanol
CID 146259770
[4-Chloro-3-[[4-[3-[[4-chloro-3-[[4-(3,4-dihydropyrazol-2-yl)phenyl]methyl]-6-[hydroxy-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethyl]quinolin-2-yl]oxymethyl]pyrazol-1-yl]phenyl]methyl]-2-(dimethylamino)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
CID 146259870

Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-pyridin-3-ylmethanol?
The IUPAC name of [4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-pyridin-3-ylmethanol (CID 159020256) is [4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-pyridin-3-ylmethanol.
What is the SMILES notation for [4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-pyridin-3-ylmethanol?
The canonical SMILES for [4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-pyridin-3-ylmethanol is COc1ccc(C(O)(c2cccnc2)c2ccc3nc(OC)c(Cc4ccc(-n5cccn5)cc4)c(Cl)c3c2)cc1.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cccnc3)cc2c(Cl)c1Cc1ccc(-n2cccc2)cc1.COc1nc2ccc(C(O)(c3ccccn3)c3cncn3C)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1Cc1ccc(F)cc1.
What is the InChIKey of [4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-pyridin-3-ylmethanol?
The InChIKey is JTPHGSASMKXAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25Cl2N3O2.C33H27ClN4O3.C29H25ClF2N4O2.C28H27ClFN5O2/c1-40-32-29(19-22-6-13-27(14-7-22)38-17-2-3-18-38)31(35)28-20-24(10-15-30(28)37-32)33(39,25-5-4-16-36-21-25)23-8-11-26(34)12-9-23;1-40-27-13-8-23(9-14-27)33(39,25-5-3-16-35-21-25)24-10-15-30-28(20-24)31(34)29(32(37-30)41-2)19-22-6-11-26(12-7-22)38-18-4-17-36-38;1-28(31,32)19-9-7-18(8-10-19)14-22-26(30)21-15-20(11-12-23(21)35-27(22)38-3)29(37,24-6-4-5-13-34-24)25-16-33-17-36(25)2;1-16-31-14-24(34(16)3)28(36,25-15-32-17(2)35(25)4)19-8-11-23-21(13-19)26(29)22(27(33-23)37-5)12-18-6-9-20(30)10-7-18/h2-18,20-21,39H,19H2,1H3;3-18,20-21,39H,19H2,1-2H3;4-13,15-17,37H,14H2,1-3H3;6-11,13-15,36H,12H2,1-5H3.
What are the key properties of [4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-pyridin-3-ylmethanol?
[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-pyridin-3-ylmethanol has a molecular weight of 2184.55 g/mol, XLogP of 24.98, 28 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-pyridin-3-ylmethanol is sourced from PubChem (CID 159020256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).