[3-benzyl-4-chloro-2-(1-methylimidazol-2-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-benzyl-2,4-dichloroquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylpyrrol-3-yl)quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyrazol-1-ylquinoline-4-carbonitrile

C152H112Cl3F17N28O5 — CID 159050338

IUPAC[3-benzyl-4-chloro-2-(1-methylimidazol-2-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-benzyl-2,4-dichloroquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylpyrrol-3-yl)quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyrazol-1-ylquinoline-4-carbonitrile
SMILESCn1ccc(-c2nc3ccc(C(O)(c4ccc(C(F)(F)F)nc4)c4cncn4C)cc3c(C#N)c2Cc2ccccc2)c1.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(-c3nccn3C)c(Cc3ccccc3)c(Cl)c2c1.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(-n3cccn3)c(Cc3ccccc3)c(C#N)c2c1.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(C(C)(F)F)c(Cc3ccccc3)c(C#N)c2c1.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(Cl)c(Cc3ccccc3)c(Cl)c2c1
InChIInChI=1S/C33H25F3N6O.C31H24ClF3N6O.C31H22F3N7O.C30H22F5N5O.C27H19Cl2F3N4O/c1-41-13-12-22(19-41)31-26(14-21-6-4-3-5-7-21)27(16-37)25-15-23(8-10-28(25)40-31)32(43,30-18-38-20-42(30)2)24-9-11-29(39-17-24)33(34,35)36;1-40-13-12-37-29(40)28-23(14-19-6-4-3-5-7-19)27(32)22-15-20(8-10-24(22)39-28)30(42,26-17-36-18-41(26)2)21-9-11-25(38-16-21)31(33,34)35;1-40-19-36-18-28(40)30(42,22-9-11-27(37-17-22)31(32,33)34)21-8-10-26-23(15-21)25(16-35)24(14-20-6-3-2-4-7-20)29(39-26)41-13-5-12-38-41;1-28(31,32)27-22(12-18-6-4-3-5-7-18)23(14-36)21-13-19(8-10-24(21)39-27)29(41,26-16-37-17-40(26)2)20-9-11-25(38-15-20)30(33,34)35;1-36-15-33-14-23(36)26(37,18-8-10-22(34-13-18)27(30,31)32)17-7-9-21-19(12-17)24(28)20(25(29)35-21)11-16-5-3-2-4-6-16/h3-13,15,17-20,43H,14H2,1-2H3;3-13,15-18,42H,14H2,1-2H3;2-13,15,17-19,42H,14H2,1H3;3-11,13,15-17,41H,12H2,1-2H3;2-10,12-15,37H,11H2,1H3
InChIKeyJXEKMQBRMVZLCZ-UHFFFAOYSA-N
MW2840.08 g/mol
LogP30.56
Rot. Bonds29

About [3-benzyl-4-chloro-2-(1-methylimidazol-2-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-benzyl-2,4-dichloroquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylpyrrol-3-yl)quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyrazol-1-ylquinoline-4-carbonitrile

[3-benzyl-4-chloro-2-(1-methylimidazol-2-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-benzyl-2,4-dichloroquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylpyrrol-3-yl)quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyrazol-1-ylquinoline-4-carbonitrile (PubChem CID 159050338) has the molecular formula C152H112Cl3F17N28O5 and a molecular weight of 2840.08 g/mol. Its IUPAC name is [3-benzyl-4-chloro-2-(1-methylimidazol-2-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-benzyl-2,4-dichloroquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylpyrrol-3-yl)quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyrazol-1-ylquinoline-4-carbonitrile.

Molecular Properties

Compound Name[3-benzyl-4-chloro-2-(1-methylimidazol-2-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-benzyl-2,4-dichloroquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylpyrrol-3-yl)quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyrazol-1-ylquinoline-4-carbonitrile
PubChem CID159050338
Molecular FormulaC152H112Cl3F17N28O5
Molecular Weight2840.08 g/mol
Exact Mass2836.82
IUPAC Name[3-benzyl-4-chloro-2-(1-methylimidazol-2-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-benzyl-2,4-dichloroquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylpyrrol-3-yl)quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyrazol-1-ylquinoline-4-carbonitrile
SMILESCn1ccc(-c2nc3ccc(C(O)(c4ccc(C(F)(F)F)nc4)c4cncn4C)cc3c(C#N)c2Cc2ccccc2)c1.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(-c3nccn3C)c(Cc3ccccc3)c(Cl)c2c1.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(-n3cccn3)c(Cc3ccccc3)c(C#N)c2c1.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(C(C)(F)F)c(Cc3ccccc3)c(C#N)c2c1.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(Cl)c(Cc3ccccc3)c(Cl)c2c1
InChIInChI=1S/C33H25F3N6O.C31H24ClF3N6O.C31H22F3N7O.C30H22F5N5O.C27H19Cl2F3N4O/c1-41-13-12-22(19-41)31-26(14-21-6-4-3-5-7-21)27(16-37)25-15-23(8-10-28(25)40-31)32(43,30-18-38-20-42(30)2)24-9-11-29(39-17-24)33(34,35)36;1-40-13-12-37-29(40)28-23(14-19-6-4-3-5-7-19)27(32)22-15-20(8-10-24(22)39-28)30(42,26-17-36-18-41(26)2)21-9-11-25(38-16-21)31(33,34)35;1-40-19-36-18-28(40)30(42,22-9-11-27(37-17-22)31(32,33)34)21-8-10-26-23(15-21)25(16-35)24(14-20-6-3-2-4-7-20)29(39-26)41-13-5-12-38-41;1-28(31,32)27-22(12-18-6-4-3-5-7-18)23(14-36)21-13-19(8-10-24(21)39-27)29(41,26-16-37-17-40(26)2)20-9-11-25(38-15-20)30(33,34)35;1-36-15-33-14-23(36)26(37,18-8-10-22(34-13-18)27(30,31)32)17-7-9-21-19(12-17)24(28)20(25(29)35-21)11-16-5-3-2-4-6-16/h3-13,15,17-20,43H,14H2,1-2H3;3-13,15-18,42H,14H2,1-2H3;2-13,15,17-19,42H,14H2,1H3;3-11,13,15-17,41H,12H2,1-2H3;2-10,12-15,37H,11H2,1H3
InChIKeyJXEKMQBRMVZLCZ-UHFFFAOYSA-N
XLogP30.56
TPSA431.09 Ų
H-Bond Donors5
H-Bond Acceptors33
Rotatable Bonds29
Heavy Atoms205
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002840.08
LogP ≤ 530.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze [3-benzyl-4-chloro-2-(1-methylimidazol-2-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-benzyl-2,4-dichloroquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylpyrrol-3-yl)quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyrazol-1-ylquinoline-4-carbonitrile with MolForge

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Related Compounds

6-[Hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)pyridin-3-yl]methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile
CID 117870010
racemic (3-(4-(1H-pyrazol-1-yl)benzyl)-4-chloro-2-(methoxy(methyl)amino)quinolin-6-yl)(1-methyl-1H-imidazol-5-yl)(6-(trifluoromethyl)pyridin-3-yl)methanol
CID 74221073
racemic (3-(4-(1H-pyrazol-1-yl)benzyl)-2-(azetidin-1-yl)-4-chloroquinolin-6-yl)(1-methyl-1H-imidazol-5-yl)(6-(trifluoromethyl)pyridin-3-yl)methanol
CID 74221074
6-[(4-Chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile
CID 74221136
(3-(4-(1H-Pyrazol-1-yl)benzyl)-2,4-dichloroquinolin-6-yl)(1-methyl-1H-imidazol-5-yl)(6-(trifluoromethyl)pyridin-3-yl)methanol
CID 74221463
6-[Hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)pyridin-3-yl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile
CID 117868755
2-(Diethylamino)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)pyridin-3-yl]methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile
CID 74221139
(3-(4-(1H-Pyrazol-1-yl)benzyl)-4-chloro-2-(diethylamino)quinolin-6-yl)(1-methyl-1H-imidazol-5-yl)(6-(trifluoromethyl)pyridin-3-yl)methanol
CID 74221398
(3-(4-(1H-Pyrazol-1-yl)benzyl)-2,4-dichloro-8-methylquinolin-6-yl)(1-methyl-1H-imidazol-5-yl)(6-(trifluoromethyl)pyridin-3-yl)methanol
CID 86715672
[4-Chloro-2-(dimethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)pyridin-3-yl]methanol
CID 91669188
[4-Chloro-2-(4-methylpiperazin-1-yl)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)pyridin-3-yl]methanol
CID 117869179
4-Chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)pyridin-3-yl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2-carbonitrile
CID 117880641

Frequently Asked Questions

What is the IUPAC name of [3-benzyl-4-chloro-2-(1-methylimidazol-2-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-benzyl-2,4-dichloroquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylpyrrol-3-yl)quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyrazol-1-ylquinoline-4-carbonitrile?
The IUPAC name of [3-benzyl-4-chloro-2-(1-methylimidazol-2-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-benzyl-2,4-dichloroquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylpyrrol-3-yl)quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyrazol-1-ylquinoline-4-carbonitrile (CID 159050338) is [3-benzyl-4-chloro-2-(1-methylimidazol-2-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-benzyl-2,4-dichloroquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylpyrrol-3-yl)quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyrazol-1-ylquinoline-4-carbonitrile.
What is the SMILES notation for [3-benzyl-4-chloro-2-(1-methylimidazol-2-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-benzyl-2,4-dichloroquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylpyrrol-3-yl)quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyrazol-1-ylquinoline-4-carbonitrile?
The canonical SMILES for [3-benzyl-4-chloro-2-(1-methylimidazol-2-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-benzyl-2,4-dichloroquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylpyrrol-3-yl)quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyrazol-1-ylquinoline-4-carbonitrile is Cn1ccc(-c2nc3ccc(C(O)(c4ccc(C(F)(F)F)nc4)c4cncn4C)cc3c(C#N)c2Cc2ccccc2)c1.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(-c3nccn3C)c(Cc3ccccc3)c(Cl)c2c1.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(-n3cccn3)c(Cc3ccccc3)c(C#N)c2c1.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(C(C)(F)F)c(Cc3ccccc3)c(C#N)c2c1.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(Cl)c(Cc3ccccc3)c(Cl)c2c1.
What is the InChIKey of [3-benzyl-4-chloro-2-(1-methylimidazol-2-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-benzyl-2,4-dichloroquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylpyrrol-3-yl)quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyrazol-1-ylquinoline-4-carbonitrile?
The InChIKey is JXEKMQBRMVZLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25F3N6O.C31H24ClF3N6O.C31H22F3N7O.C30H22F5N5O.C27H19Cl2F3N4O/c1-41-13-12-22(19-41)31-26(14-21-6-4-3-5-7-21)27(16-37)25-15-23(8-10-28(25)40-31)32(43,30-18-38-20-42(30)2)24-9-11-29(39-17-24)33(34,35)36;1-40-13-12-37-29(40)28-23(14-19-6-4-3-5-7-19)27(32)22-15-20(8-10-24(22)39-28)30(42,26-17-36-18-41(26)2)21-9-11-25(38-16-21)31(33,34)35;1-40-19-36-18-28(40)30(42,22-9-11-27(37-17-22)31(32,33)34)21-8-10-26-23(15-21)25(16-35)24(14-20-6-3-2-4-7-20)29(39-26)41-13-5-12-38-41;1-28(31,32)27-22(12-18-6-4-3-5-7-18)23(14-36)21-13-19(8-10-24(21)39-27)29(41,26-16-37-17-40(26)2)20-9-11-25(38-15-20)30(33,34)35;1-36-15-33-14-23(36)26(37,18-8-10-22(34-13-18)27(30,31)32)17-7-9-21-19(12-17)24(28)20(25(29)35-21)11-16-5-3-2-4-6-16/h3-13,15,17-20,43H,14H2,1-2H3;3-13,15-18,42H,14H2,1-2H3;2-13,15,17-19,42H,14H2,1H3;3-11,13,15-17,41H,12H2,1-2H3;2-10,12-15,37H,11H2,1H3.
What are the key properties of [3-benzyl-4-chloro-2-(1-methylimidazol-2-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-benzyl-2,4-dichloroquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylpyrrol-3-yl)quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyrazol-1-ylquinoline-4-carbonitrile?
[3-benzyl-4-chloro-2-(1-methylimidazol-2-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-benzyl-2,4-dichloroquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylpyrrol-3-yl)quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyrazol-1-ylquinoline-4-carbonitrile has a molecular weight of 2840.08 g/mol, XLogP of 30.56, 29 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for [3-benzyl-4-chloro-2-(1-methylimidazol-2-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-benzyl-2,4-dichloroquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylpyrrol-3-yl)quinoline-4-carbonitrile;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyrazol-1-ylquinoline-4-carbonitrile is sourced from PubChem (CID 159050338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).