6-(2,3-dimethylimidazol-4-yl)-2-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]quinoline-4-carbonitrile

C24H19F3N4O — CID 118013653

IUPAC6-(2,3-dimethylimidazol-4-yl)-2-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]quinoline-4-carbonitrile
SMILESCOc1nc2ccc(-c3cnc(C)n3C)cc2c(C#N)c1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C24H19F3N4O/c1-14-29-13-22(31(14)2)16-8-9-21-17(11-16)19(12-28)18(23(30-21)32-3)10-15-6-4-5-7-20(15)24(25,26)27/h4-9,11,13H,10H2,1-3H3
InChIKeyOBZZZFICSJCMIN-UHFFFAOYSA-N
MW436.44 g/mol
LogP5.43
Rot. Bonds4

About 6-(2,3-dimethylimidazol-4-yl)-2-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]quinoline-4-carbonitrile

6-(2,3-dimethylimidazol-4-yl)-2-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]quinoline-4-carbonitrile (PubChem CID 118013653) has the molecular formula C24H19F3N4O and a molecular weight of 436.44 g/mol. Its IUPAC name is 6-(2,3-dimethylimidazol-4-yl)-2-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]quinoline-4-carbonitrile.

Molecular Properties

Compound Name6-(2,3-dimethylimidazol-4-yl)-2-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]quinoline-4-carbonitrile
PubChem CID118013653
Molecular FormulaC24H19F3N4O
Molecular Weight436.44 g/mol
Exact Mass436.15
IUPAC Name6-(2,3-dimethylimidazol-4-yl)-2-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]quinoline-4-carbonitrile
SMILESCOc1nc2ccc(-c3cnc(C)n3C)cc2c(C#N)c1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C24H19F3N4O/c1-14-29-13-22(31(14)2)16-8-9-21-17(11-16)19(12-28)18(23(30-21)32-3)10-15-6-4-5-7-20(15)24(25,26)27/h4-9,11,13H,10H2,1-3H3
InChIKeyOBZZZFICSJCMIN-UHFFFAOYSA-N
XLogP5.43
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.44
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(2,3-dimethylimidazol-4-yl)-2-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]quinoline-4-carbonitrile with MolForge

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Related Compounds

4-chloro-6-(2,3-dimethylimidazol-4-yl)-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline
CID 118013611
6-[(2,3-dimethylimidazol-4-yl)-(1,5-dimethylpyrrol-2-yl)-hydroxymethyl]-2-methoxy-3-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carbonitrile
CID 118012506
6-[(2,3-dimethylimidazol-4-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxy-3-(2,2,2-trifluoroethyl)quinoline-4-carbonitrile
CID 118022273
2,4-dimethoxy-6-(3-methylimidazol-4-yl)-3-(2,2,2-trifluoroethoxy)quinoline
CID 118031641
4-chloro-6-(2,3-dimethylimidazol-4-yl)-2-ethyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline
CID 118013606
7-fluoro-3-methyl-1-[[2-(trifluoromethyl)phenyl]methoxy]isoquinoline-4-carbonitrile
CID 71053583
[4-chloro-2-methoxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol
CID 118022817
[4-chloro-3-[[5-(1,1-difluoroethyl)thiophen-2-yl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol
CID 118012408
4-bromo-3-methoxy-6-[[2-(trifluoromethyl)phenyl]methyl]pyridazine
CID 117106723
3-methyl-2,6-diphenyl-5-(trifluoromethyl)benzonitrile
CID 89254564
1-methoxy-4-[[2-(trifluoromethyl)phenyl]methyl]benzene
CID 71499549
6-[[2-(trifluoromethyl)phenyl]methoxy]-1,3-benzothiazole-2-carbonitrile
CID 58797707

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethylimidazol-4-yl)-2-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]quinoline-4-carbonitrile?
The IUPAC name of 6-(2,3-dimethylimidazol-4-yl)-2-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]quinoline-4-carbonitrile (CID 118013653) is 6-(2,3-dimethylimidazol-4-yl)-2-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]quinoline-4-carbonitrile.
What is the SMILES notation for 6-(2,3-dimethylimidazol-4-yl)-2-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]quinoline-4-carbonitrile?
The canonical SMILES for 6-(2,3-dimethylimidazol-4-yl)-2-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]quinoline-4-carbonitrile is COc1nc2ccc(-c3cnc(C)n3C)cc2c(C#N)c1Cc1ccccc1C(F)(F)F.
What is the InChIKey of 6-(2,3-dimethylimidazol-4-yl)-2-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]quinoline-4-carbonitrile?
The InChIKey is OBZZZFICSJCMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O/c1-14-29-13-22(31(14)2)16-8-9-21-17(11-16)19(12-28)18(23(30-21)32-3)10-15-6-4-5-7-20(15)24(25,26)27/h4-9,11,13H,10H2,1-3H3.
What are the key properties of 6-(2,3-dimethylimidazol-4-yl)-2-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]quinoline-4-carbonitrile?
6-(2,3-dimethylimidazol-4-yl)-2-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]quinoline-4-carbonitrile has a molecular weight of 436.44 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethylimidazol-4-yl)-2-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]quinoline-4-carbonitrile is sourced from PubChem (CID 118013653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).