3-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]benzonitrile

C25H15F3N4O — CID 118077868

IUPAC3-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]benzonitrile
SMILESCn1c(=O)n(-c2cccc(C(F)(F)F)c2)c2c3cc(-c4cccc(C#N)c4)ccc3ncc21
InChIInChI=1S/C25H15F3N4O/c1-31-22-14-30-21-9-8-17(16-5-2-4-15(10-16)13-29)11-20(21)23(22)32(24(31)33)19-7-3-6-18(12-19)25(26,27)28/h2-12,14H,1H3
InChIKeyRJGIRUZACUYFIP-UHFFFAOYSA-N
MW444.42 g/mol
LogP5.43
Rot. Bonds2

About 3-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]benzonitrile

3-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]benzonitrile (PubChem CID 118077868) has the molecular formula C25H15F3N4O and a molecular weight of 444.42 g/mol. Its IUPAC name is 3-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]benzonitrile.

Molecular Properties

Compound Name3-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]benzonitrile
PubChem CID118077868
Molecular FormulaC25H15F3N4O
Molecular Weight444.42 g/mol
Exact Mass444.12
IUPAC Name3-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]benzonitrile
SMILESCn1c(=O)n(-c2cccc(C(F)(F)F)c2)c2c3cc(-c4cccc(C#N)c4)ccc3ncc21
InChIInChI=1S/C25H15F3N4O/c1-31-22-14-30-21-9-8-17(16-5-2-4-15(10-16)13-29)11-20(21)23(22)32(24(31)33)19-7-3-6-18(12-19)25(26,27)28/h2-12,14H,1H3
InChIKeyRJGIRUZACUYFIP-UHFFFAOYSA-N
XLogP5.43
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.42
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]benzonitrile with MolForge

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Related Compounds

Dactolisib
CID 11977753
1-[2-(Dimethylamino)ethyl]-3-[3-fluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea
CID 163286284
ATM Inhibitor-3
CID 163286301
1-[2-(Dimethylamino)ethyl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea
CID 163286306
1-[2-(3,3-Difluoroazetidin-1-yl)ethyl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea
CID 163286369
ATM Inhibitor-4
CID 163286374
3-Methyl-1-(oxan-4-yl)-8-pyridin-3-yl-imidazo[4,5-c]quinolin-2-one
CID 134163712
1-[2-(Dimethylamino)ethyl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-1-methylurea
CID 168284896
2-Imidazolidinone,1-[2-[4-[3-(4-fluorophenyl)-5-methyl-1h-indol-1-yl]-1-piperidinyl]ethyl]-3-(1-methylethyl)-
CID 9956013
1-(2-{4-[3-(4-Fluoro-phenyl)-5-methyl-indol-1-yl]-piperidin-1-yl}-ethyl)-1,3-dimethyl-urea
CID 10047887
Nvp-bbd130
CID 11751126
2-Methyl-2-[4-(3-methyl-2-oxo-8-pyridin-4-yl-2,3-dihydro-imidazo[4,5-c]quinolin-1-yl)-phenyl]-propionitrile
CID 11957743

Frequently Asked Questions

What is the IUPAC name of 3-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]benzonitrile?
The IUPAC name of 3-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]benzonitrile (CID 118077868) is 3-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]benzonitrile.
What is the SMILES notation for 3-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]benzonitrile?
The canonical SMILES for 3-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]benzonitrile is Cn1c(=O)n(-c2cccc(C(F)(F)F)c2)c2c3cc(-c4cccc(C#N)c4)ccc3ncc21.
What is the InChIKey of 3-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]benzonitrile?
The InChIKey is RJGIRUZACUYFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15F3N4O/c1-31-22-14-30-21-9-8-17(16-5-2-4-15(10-16)13-29)11-20(21)23(22)32(24(31)33)19-7-3-6-18(12-19)25(26,27)28/h2-12,14H,1H3.
What are the key properties of 3-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]benzonitrile?
3-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]benzonitrile has a molecular weight of 444.42 g/mol, XLogP of 5.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]benzonitrile is sourced from PubChem (CID 118077868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).