2-(2,5-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide

C25H19F3N2O — CID 2220779

IUPAC2-(2,5-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide
SMILESCc1ccc(C)c(-c2cc(C(=O)Nc3ccccc3C(F)(F)F)c3ccccc3n2)c1
InChIInChI=1S/C25H19F3N2O/c1-15-11-12-16(2)18(13-15)23-14-19(17-7-3-5-9-21(17)29-23)24(31)30-22-10-6-4-8-20(22)25(26,27)28/h3-14H,1-2H3,(H,30,31)
InChIKeyDOFMJZLZADYDFO-UHFFFAOYSA-N
MW420.43 g/mol
LogP6.79
Rot. Bonds3

About 2-(2,5-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide

2-(2,5-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide (PubChem CID 2220779) has the molecular formula C25H19F3N2O and a molecular weight of 420.43 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide
PubChem CID2220779
Molecular FormulaC25H19F3N2O
Molecular Weight420.43 g/mol
Exact Mass420.14
IUPAC Name2-(2,5-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide
SMILESCc1ccc(C)c(-c2cc(C(=O)Nc3ccccc3C(F)(F)F)c3ccccc3n2)c1
InChIInChI=1S/C25H19F3N2O/c1-15-11-12-16(2)18(13-15)23-14-19(17-7-3-5-9-21(17)29-23)24(31)30-22-10-6-4-8-20(22)25(26,27)28/h3-14H,1-2H3,(H,30,31)
InChIKeyDOFMJZLZADYDFO-UHFFFAOYSA-N
XLogP6.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.43
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethylphenyl)-N-[2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4178944
2-(2,4-dimethylphenyl)-N-(2-ethylphenyl)quinoline-4-carboxamide
CID 3129381
methyl 3-[[2-(2,5-dimethylphenyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate
CID 1012487
N-(2,4-dimethylphenyl)-2-phenylquinoline-4-carboxamide
CID 3480982
N-(2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 769490
N-(4-chloro-2-fluorophenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 3298781
2-(2,4-dimethylphenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide
CID 5239510
2-amino-5-methyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 62511382
N-(2,4-dichlorophenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 4306241
2-(2-methylphenyl)-N-[3-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 3276867
2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 8966624
2-(4-tert-butylphenyl)-N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 5058718

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide (CID 2220779) is 2-(2,5-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide is Cc1ccc(C)c(-c2cc(C(=O)Nc3ccccc3C(F)(F)F)c3ccccc3n2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
The InChIKey is DOFMJZLZADYDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N2O/c1-15-11-12-16(2)18(13-15)23-14-19(17-7-3-5-9-21(17)29-23)24(31)30-22-10-6-4-8-20(22)25(26,27)28/h3-14H,1-2H3,(H,30,31).
What are the key properties of 2-(2,5-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
2-(2,5-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide has a molecular weight of 420.43 g/mol, XLogP of 6.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 2220779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).