N-methyl-N,4-diphenyl-8-(trifluoromethyl)quinoline-3-carboxamide

C24H17F3N2O — CID 66914315

IUPACN-methyl-N,4-diphenyl-8-(trifluoromethyl)quinoline-3-carboxamide
SMILESCN(C(=O)c1cnc2c(C(F)(F)F)cccc2c1-c1ccccc1)c1ccccc1
InChIInChI=1S/C24H17F3N2O/c1-29(17-11-6-3-7-12-17)23(30)19-15-28-22-18(13-8-14-20(22)24(25,26)27)21(19)16-9-4-2-5-10-16/h2-15H,1H3
InChIKeyAHUYRAWHQQNQIN-UHFFFAOYSA-N
MW406.41 g/mol
LogP6.20
Rot. Bonds3

About N-methyl-N,4-diphenyl-8-(trifluoromethyl)quinoline-3-carboxamide

N-methyl-N,4-diphenyl-8-(trifluoromethyl)quinoline-3-carboxamide (PubChem CID 66914315) has the molecular formula C24H17F3N2O and a molecular weight of 406.41 g/mol. Its IUPAC name is N-methyl-N,4-diphenyl-8-(trifluoromethyl)quinoline-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N,4-diphenyl-8-(trifluoromethyl)quinoline-3-carboxamide
PubChem CID66914315
Molecular FormulaC24H17F3N2O
Molecular Weight406.41 g/mol
Exact Mass406.13
IUPAC NameN-methyl-N,4-diphenyl-8-(trifluoromethyl)quinoline-3-carboxamide
SMILESCN(C(=O)c1cnc2c(C(F)(F)F)cccc2c1-c1ccccc1)c1ccccc1
InChIInChI=1S/C24H17F3N2O/c1-29(17-11-6-3-7-12-17)23(30)19-15-28-22-18(13-8-14-20(22)24(25,26)27)21(19)16-9-4-2-5-10-16/h2-15H,1H3
InChIKeyAHUYRAWHQQNQIN-UHFFFAOYSA-N
XLogP6.20
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.41
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-methyl-N,4-diphenyl-8-(trifluoromethyl)quinoline-3-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-methyl-N-(4-methylphenyl)-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide
CID 66914477
N-(2-methoxyphenyl)-N-methyl-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide
CID 66914400
N-(3-fluorophenyl)-N-methyl-4-phenyl-8-(trifluoromethyl)quinoline-3-carboximidamide
CID 151835378
(3-methylthiophen-2-yl)-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone
CID 66914336
N-[(3-ethylphenyl)methyl]-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide
CID 90749427
2-[4-[[3-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]-N-methylanilino]methyl]phenyl]acetic acid
CID 66914197
1-[3-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]-1-(2-phenylethyl)urea
CID 174518730
[4-[3-(ethylamino)phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone
CID 66914483
1-[3-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]-3-(3-fluorophenyl)urea
CID 66914238
4-[3-[(2-chlorophenyl)carbamoylamino]phenyl]-8-(trifluoromethyl)quinoline-3-carboxylic acid
CID 66913960
4-(dimethylamino)-8-(trifluoromethyl)quinoline-3-carbohydrazide
CID 43826491
phenyl-[4-thiophen-2-yl-8-(trifluoromethyl)quinolin-3-yl]methanone
CID 11429019

Frequently Asked Questions

What is the IUPAC name of N-methyl-N,4-diphenyl-8-(trifluoromethyl)quinoline-3-carboxamide?
The IUPAC name of N-methyl-N,4-diphenyl-8-(trifluoromethyl)quinoline-3-carboxamide (CID 66914315) is N-methyl-N,4-diphenyl-8-(trifluoromethyl)quinoline-3-carboxamide.
What is the SMILES notation for N-methyl-N,4-diphenyl-8-(trifluoromethyl)quinoline-3-carboxamide?
The canonical SMILES for N-methyl-N,4-diphenyl-8-(trifluoromethyl)quinoline-3-carboxamide is CN(C(=O)c1cnc2c(C(F)(F)F)cccc2c1-c1ccccc1)c1ccccc1.
What is the InChIKey of N-methyl-N,4-diphenyl-8-(trifluoromethyl)quinoline-3-carboxamide?
The InChIKey is AHUYRAWHQQNQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N2O/c1-29(17-11-6-3-7-12-17)23(30)19-15-28-22-18(13-8-14-20(22)24(25,26)27)21(19)16-9-4-2-5-10-16/h2-15H,1H3.
What are the key properties of N-methyl-N,4-diphenyl-8-(trifluoromethyl)quinoline-3-carboxamide?
N-methyl-N,4-diphenyl-8-(trifluoromethyl)quinoline-3-carboxamide has a molecular weight of 406.41 g/mol, XLogP of 6.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N,4-diphenyl-8-(trifluoromethyl)quinoline-3-carboxamide is sourced from PubChem (CID 66914315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).