4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-(4-fluorophenoxy)quinoline-2-carbonitrile;[4-chloro-2-ethoxy-3-(4-fluorophenoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;bis(4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-phenoxyquinoline-2-carbonitrile);(4-chlorophenyl)-[2-(diethylamino)-3-phenoxy-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenoxyquinoline-2,4-dicarbonitrile

C168H121Cl7F11N27O13 — CID 158494347

IUPAC4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-(4-fluorophenoxy)quinoline-2-carbonitrile;[4-chloro-2-ethoxy-3-(4-fluorophenoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;bis(4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-phenoxyquinoline-2-carbonitrile);(4-chlorophenyl)-[2-(diethylamino)-3-phenoxy-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenoxyquinoline-2,4-dicarbonitrile
SMILESCCN(CC)c1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(C(F)(F)F)c1Oc1ccccc1.CCOc1nc2ccc(C(O)(c3ccc(C)nc3)c3cncn3C)cc2c(Cl)c1Oc1ccc(F)cc1.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(C#N)c(Oc3ccccc3)c(Cl)c2c1.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(C#N)c(Oc3ccccc3)c(Cl)c2c1.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(C#N)c(Oc3ccc(F)cc3)c(Cl)c2c1.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(C#N)c(Oc3ccccc3)c(C#N)c2c1
InChIInChI=1S/C31H28ClF3N4O2.C28H24ClFN4O3.C28H18ClN5O2.C27H17Cl2FN4O2.2C27H17ClF3N5O2/c1-4-39(5-2)29-28(41-23-9-7-6-8-10-23)27(31(33,34)35)24-17-21(13-16-25(24)37-29)30(40,26-18-36-19-38(26)3)20-11-14-22(32)15-12-20;1-4-36-27-26(37-21-10-8-20(30)9-11-21)25(29)22-13-18(7-12-23(22)33-27)28(35,24-15-31-16-34(24)3)19-6-5-17(2)32-14-19;1-34-17-32-16-26(34)28(35,18-7-10-20(29)11-8-18)19-9-12-24-22(13-19)23(14-30)27(25(15-31)33-24)36-21-5-3-2-4-6-21;1-34-15-32-14-24(34)27(35,16-2-5-18(28)6-3-16)17-4-11-22-21(12-17)25(29)26(23(13-31)33-22)36-20-9-7-19(30)8-10-20;2*1-36-15-33-14-23(36)26(37,17-8-10-22(34-13-17)27(29,30)31)16-7-9-20-19(11-16)24(28)25(21(12-32)35-20)38-18-5-3-2-4-6-18/h6-19,40H,4-5H2,1-3H3;5-16,35H,4H2,1-3H3;2-13,16-17,35H,1H3;2-12,14-15,35H,1H3;2*2-11,13-15,37H,1H3
InChIKeyHJBYQAFEMJLGLP-UHFFFAOYSA-N
MW3183.14 g/mol
LogP37.27
Rot. Bonds35

About 4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-(4-fluorophenoxy)quinoline-2-carbonitrile;[4-chloro-2-ethoxy-3-(4-fluorophenoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;bis(4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-phenoxyquinoline-2-carbonitrile);(4-chlorophenyl)-[2-(diethylamino)-3-phenoxy-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenoxyquinoline-2,4-dicarbonitrile

4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-(4-fluorophenoxy)quinoline-2-carbonitrile;[4-chloro-2-ethoxy-3-(4-fluorophenoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;bis(4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-phenoxyquinoline-2-carbonitrile);(4-chlorophenyl)-[2-(diethylamino)-3-phenoxy-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenoxyquinoline-2,4-dicarbonitrile (PubChem CID 158494347) has the molecular formula C168H121Cl7F11N27O13 and a molecular weight of 3183.14 g/mol. Its IUPAC name is 4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-(4-fluorophenoxy)quinoline-2-carbonitrile;[4-chloro-2-ethoxy-3-(4-fluorophenoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;bis(4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-phenoxyquinoline-2-carbonitrile);(4-chlorophenyl)-[2-(diethylamino)-3-phenoxy-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenoxyquinoline-2,4-dicarbonitrile.

Molecular Properties

Compound Name4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-(4-fluorophenoxy)quinoline-2-carbonitrile;[4-chloro-2-ethoxy-3-(4-fluorophenoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;bis(4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-phenoxyquinoline-2-carbonitrile);(4-chlorophenyl)-[2-(diethylamino)-3-phenoxy-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenoxyquinoline-2,4-dicarbonitrile
PubChem CID158494347
Molecular FormulaC168H121Cl7F11N27O13
Molecular Weight3183.14 g/mol
Exact Mass3177.73
IUPAC Name4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-(4-fluorophenoxy)quinoline-2-carbonitrile;[4-chloro-2-ethoxy-3-(4-fluorophenoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;bis(4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-phenoxyquinoline-2-carbonitrile);(4-chlorophenyl)-[2-(diethylamino)-3-phenoxy-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenoxyquinoline-2,4-dicarbonitrile
SMILESCCN(CC)c1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(C(F)(F)F)c1Oc1ccccc1.CCOc1nc2ccc(C(O)(c3ccc(C)nc3)c3cncn3C)cc2c(Cl)c1Oc1ccc(F)cc1.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(C#N)c(Oc3ccccc3)c(Cl)c2c1.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(C#N)c(Oc3ccccc3)c(Cl)c2c1.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(C#N)c(Oc3ccc(F)cc3)c(Cl)c2c1.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(C#N)c(Oc3ccccc3)c(C#N)c2c1
InChIInChI=1S/C31H28ClF3N4O2.C28H24ClFN4O3.C28H18ClN5O2.C27H17Cl2FN4O2.2C27H17ClF3N5O2/c1-4-39(5-2)29-28(41-23-9-7-6-8-10-23)27(31(33,34)35)24-17-21(13-16-25(24)37-29)30(40,26-18-36-19-38(26)3)20-11-14-22(32)15-12-20;1-4-36-27-26(37-21-10-8-20(30)9-11-21)25(29)22-13-18(7-12-23(22)33-27)28(35,24-15-31-16-34(24)3)19-6-5-17(2)32-14-19;1-34-17-32-16-26(34)28(35,18-7-10-20(29)11-8-18)19-9-12-24-22(13-19)23(14-30)27(25(15-31)33-24)36-21-5-3-2-4-6-21;1-34-15-32-14-24(34)27(35,16-2-5-18(28)6-3-16)17-4-11-22-21(12-17)25(29)26(23(13-31)33-22)36-20-9-7-19(30)8-10-20;2*1-36-15-33-14-23(36)26(37,17-8-10-22(34-13-17)27(29,30)31)16-7-9-20-19(11-16)24(28)25(21(12-32)35-20)38-18-5-3-2-4-6-18/h6-19,40H,4-5H2,1-3H3;5-16,35H,4H2,1-3H3;2-13,16-17,35H,1H3;2-12,14-15,35H,1H3;2*2-11,13-15,37H,1H3
InChIKeyHJBYQAFEMJLGLP-UHFFFAOYSA-N
XLogP37.27
TPSA531.11 Ų
H-Bond Donors6
H-Bond Acceptors40
Rotatable Bonds35
Heavy Atoms226
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003183.14
LogP ≤ 537.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1040

Analyze 4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-(4-fluorophenoxy)quinoline-2-carbonitrile;[4-chloro-2-ethoxy-3-(4-fluorophenoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;bis(4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-phenoxyquinoline-2-carbonitrile);(4-chlorophenyl)-[2-(diethylamino)-3-phenoxy-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenoxyquinoline-2,4-dicarbonitrile with MolForge

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Related Compounds

4-[4-Chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)pyridin-3-yl]methyl]-2-pyrrolidin-1-ylquinolin-3-yl]oxybenzonitrile
CID 74223018
(4-Chloro-2-ethoxy-3-(4-fluorophenoxy)quinolin-6-yl)(1-methyl-1H-imidazol-5-yl)(6-(trifluoromethyl)pyridin-3-yl)methanol
CID 74223889
[4-Chloro-3-phenyl-2-(2,2,2-trifluoroethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
CID 118005596
[4-Chloro-2-methoxy-3-(2,2,2-trifluoroethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxy-3-(2,2,2-trifluoroethoxy)quinoline-4-carbonitrile
CID 118022521
[2-[[5-[6-[Bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]oxy-1-methylpiperidin-2-yl]methoxy]-4-chloro-3-[(2,2-difluorocyclopropyl)methoxy]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol
CID 129035464
(4-Chlorophenyl)-[2,4-dichloro-8-[[5-[[4-chloro-2-methoxy-3-(1-methylpiperidin-3-yl)oxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-1-methylimidazol-2-yl]methyl]-3-(2,2,2-trifluoroethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol
CID 129035486
[4-Chloro-3-[[3-[1-[4-chloro-6-[(2,3-dimethylimidazol-4-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-3-propan-2-yloxyquinolin-2-yl]azetidin-3-yl]-2,2-difluorocyclopropyl]methoxy]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
CID 129314877
1-[4-[[2,4-Dichloro-8-[5-[(4-chlorophenyl)-[2,4-dichloro-3-(2,2,2-trifluoroethoxy)quinolin-6-yl]-hydroxymethyl]-1-methylimidazol-2-yl]-3-propan-2-yloxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone
CID 129315082
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
2-[[2-[4-[[4-Chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(2-methoxyethoxy)quinolin-3-yl]methyl]phenyl]-3,4-dihydropyrazol-5-yl]methoxy]-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline-4-carbonitrile
CID 146259873
[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
[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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-(4-fluorophenoxy)quinoline-2-carbonitrile;[4-chloro-2-ethoxy-3-(4-fluorophenoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;bis(4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-phenoxyquinoline-2-carbonitrile);(4-chlorophenyl)-[2-(diethylamino)-3-phenoxy-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenoxyquinoline-2,4-dicarbonitrile?
The IUPAC name of 4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-(4-fluorophenoxy)quinoline-2-carbonitrile;[4-chloro-2-ethoxy-3-(4-fluorophenoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;bis(4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-phenoxyquinoline-2-carbonitrile);(4-chlorophenyl)-[2-(diethylamino)-3-phenoxy-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenoxyquinoline-2,4-dicarbonitrile (CID 158494347) is 4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-(4-fluorophenoxy)quinoline-2-carbonitrile;[4-chloro-2-ethoxy-3-(4-fluorophenoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;bis(4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-phenoxyquinoline-2-carbonitrile);(4-chlorophenyl)-[2-(diethylamino)-3-phenoxy-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenoxyquinoline-2,4-dicarbonitrile.
What is the SMILES notation for 4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-(4-fluorophenoxy)quinoline-2-carbonitrile;[4-chloro-2-ethoxy-3-(4-fluorophenoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;bis(4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-phenoxyquinoline-2-carbonitrile);(4-chlorophenyl)-[2-(diethylamino)-3-phenoxy-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenoxyquinoline-2,4-dicarbonitrile?
The canonical SMILES for 4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-(4-fluorophenoxy)quinoline-2-carbonitrile;[4-chloro-2-ethoxy-3-(4-fluorophenoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;bis(4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-phenoxyquinoline-2-carbonitrile);(4-chlorophenyl)-[2-(diethylamino)-3-phenoxy-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenoxyquinoline-2,4-dicarbonitrile is CCN(CC)c1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(C(F)(F)F)c1Oc1ccccc1.CCOc1nc2ccc(C(O)(c3ccc(C)nc3)c3cncn3C)cc2c(Cl)c1Oc1ccc(F)cc1.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(C#N)c(Oc3ccccc3)c(Cl)c2c1.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(C#N)c(Oc3ccccc3)c(Cl)c2c1.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(C#N)c(Oc3ccc(F)cc3)c(Cl)c2c1.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(C#N)c(Oc3ccccc3)c(C#N)c2c1.
What is the InChIKey of 4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-(4-fluorophenoxy)quinoline-2-carbonitrile;[4-chloro-2-ethoxy-3-(4-fluorophenoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;bis(4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-phenoxyquinoline-2-carbonitrile);(4-chlorophenyl)-[2-(diethylamino)-3-phenoxy-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenoxyquinoline-2,4-dicarbonitrile?
The InChIKey is HJBYQAFEMJLGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28ClF3N4O2.C28H24ClFN4O3.C28H18ClN5O2.C27H17Cl2FN4O2.2C27H17ClF3N5O2/c1-4-39(5-2)29-28(41-23-9-7-6-8-10-23)27(31(33,34)35)24-17-21(13-16-25(24)37-29)30(40,26-18-36-19-38(26)3)20-11-14-22(32)15-12-20;1-4-36-27-26(37-21-10-8-20(30)9-11-21)25(29)22-13-18(7-12-23(22)33-27)28(35,24-15-31-16-34(24)3)19-6-5-17(2)32-14-19;1-34-17-32-16-26(34)28(35,18-7-10-20(29)11-8-18)19-9-12-24-22(13-19)23(14-30)27(25(15-31)33-24)36-21-5-3-2-4-6-21;1-34-15-32-14-24(34)27(35,16-2-5-18(28)6-3-16)17-4-11-22-21(12-17)25(29)26(23(13-31)33-22)36-20-9-7-19(30)8-10-20;2*1-36-15-33-14-23(36)26(37,17-8-10-22(34-13-17)27(29,30)31)16-7-9-20-19(11-16)24(28)25(21(12-32)35-20)38-18-5-3-2-4-6-18/h6-19,40H,4-5H2,1-3H3;5-16,35H,4H2,1-3H3;2-13,16-17,35H,1H3;2-12,14-15,35H,1H3;2*2-11,13-15,37H,1H3.
What are the key properties of 4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-(4-fluorophenoxy)quinoline-2-carbonitrile;[4-chloro-2-ethoxy-3-(4-fluorophenoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;bis(4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-phenoxyquinoline-2-carbonitrile);(4-chlorophenyl)-[2-(diethylamino)-3-phenoxy-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenoxyquinoline-2,4-dicarbonitrile?
4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-(4-fluorophenoxy)quinoline-2-carbonitrile;[4-chloro-2-ethoxy-3-(4-fluorophenoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;bis(4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-phenoxyquinoline-2-carbonitrile);(4-chlorophenyl)-[2-(diethylamino)-3-phenoxy-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenoxyquinoline-2,4-dicarbonitrile has a molecular weight of 3183.14 g/mol, XLogP of 37.27, 35 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-(4-fluorophenoxy)quinoline-2-carbonitrile;[4-chloro-2-ethoxy-3-(4-fluorophenoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;bis(4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-phenoxyquinoline-2-carbonitrile);(4-chlorophenyl)-[2-(diethylamino)-3-phenoxy-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenoxyquinoline-2,4-dicarbonitrile is sourced from PubChem (CID 158494347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).