N-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]phenyl]quinoline-4-carboxamide

C24H14F6N2O — CID 91238971

IUPACN-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]phenyl]quinoline-4-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2C(F)(F)F)cc1C(F)(F)F)c1ccnc2ccccc12
InChIInChI=1S/C24H14F6N2O/c25-23(26,27)18-7-3-1-5-15(18)14-9-10-21(19(13-14)24(28,29)30)32-22(33)17-11-12-31-20-8-4-2-6-16(17)20/h1-13H,(H,32,33)
InChIKeyMAXHJYZEUDTULP-UHFFFAOYSA-N
MW460.38 g/mol
LogP7.19
Rot. Bonds3

About N-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]phenyl]quinoline-4-carboxamide

N-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]phenyl]quinoline-4-carboxamide (PubChem CID 91238971) has the molecular formula C24H14F6N2O and a molecular weight of 460.38 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]phenyl]quinoline-4-carboxamide
PubChem CID91238971
Molecular FormulaC24H14F6N2O
Molecular Weight460.38 g/mol
Exact Mass460.10
IUPAC NameN-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]phenyl]quinoline-4-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2C(F)(F)F)cc1C(F)(F)F)c1ccnc2ccccc12
InChIInChI=1S/C24H14F6N2O/c25-23(26,27)18-7-3-1-5-15(18)14-9-10-21(19(13-14)24(28,29)30)32-22(33)17-11-12-31-20-8-4-2-6-16(17)20/h1-13H,(H,32,33)
InChIKeyMAXHJYZEUDTULP-UHFFFAOYSA-N
XLogP7.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.38
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]phenyl]quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-phenylphenyl)quinoline-4-carboxamide
CID 142724043
N-quinolin-5-yl-2-(trifluoromethyl)benzamide
CID 26242319
N-(4-fluoro-2-methylphenyl)quinoline-4-carboxamide
CID 78814142
N-[3-phenyl-5-(trifluoromethyl)-2-pyridinyl]quinoline-4-carboxamide
CID 142723928
N-(2-amino-4-hydroxyphenyl)quinoline-4-carboxamide
CID 107697606
N-[2-(3-nitrophenyl)phenyl]quinoline-4-carboxamide
CID 142724022
N-(4-iodo-2-methylphenyl)quinoline-4-carboxamide
CID 134008388
N-[2-[3-(quinolin-4-ylmethylamino)phenyl]phenyl]quinoline-4-carboxamide
CID 142723917
4-[7-[2-(trifluoromethyl)phenyl]quinolin-4-yl]phenol
CID 174480072
N-[2-(3,5-dichlorophenyl)-4-fluorophenyl]quinoline-5-carboxamide
CID 142723975
2,3-dimethyl-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 110860798
N-[2-(chloromethyl)phenyl]quinoline-4-carboxamide
CID 114298272

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]phenyl]quinoline-4-carboxamide?
The IUPAC name of N-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]phenyl]quinoline-4-carboxamide (CID 91238971) is N-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]phenyl]quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]phenyl]quinoline-4-carboxamide?
The canonical SMILES for N-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]phenyl]quinoline-4-carboxamide is O=C(Nc1ccc(-c2ccccc2C(F)(F)F)cc1C(F)(F)F)c1ccnc2ccccc12.
What is the InChIKey of N-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]phenyl]quinoline-4-carboxamide?
The InChIKey is MAXHJYZEUDTULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F6N2O/c25-23(26,27)18-7-3-1-5-15(18)14-9-10-21(19(13-14)24(28,29)30)32-22(33)17-11-12-31-20-8-4-2-6-16(17)20/h1-13H,(H,32,33).
What are the key properties of N-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]phenyl]quinoline-4-carboxamide?
N-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]phenyl]quinoline-4-carboxamide has a molecular weight of 460.38 g/mol, XLogP of 7.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 91238971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).