N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide

C25H18ClF3N2O — CID 5054651

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c3ccccc3n2)cc1C
InChIInChI=1S/C25H18ClF3N2O/c1-14-7-8-16(11-15(14)2)23-13-19(18-5-3-4-6-22(18)31-23)24(32)30-17-9-10-21(26)20(12-17)25(27,28)29/h3-13H,1-2H3,(H,30,32)
InChIKeyISKKWJUZJBYJIU-UHFFFAOYSA-N
MW454.88 g/mol
LogP7.44
Rot. Bonds3

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide (PubChem CID 5054651) has the molecular formula C25H18ClF3N2O and a molecular weight of 454.88 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide
PubChem CID5054651
Molecular FormulaC25H18ClF3N2O
Molecular Weight454.88 g/mol
Exact Mass454.11
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c3ccccc3n2)cc1C
InChIInChI=1S/C25H18ClF3N2O/c1-14-7-8-16(11-15(14)2)23-13-19(18-5-3-4-6-22(18)31-23)24(32)30-17-9-10-21(26)20(12-17)25(27,28)29/h3-13H,1-2H3,(H,30,32)
InChIKeyISKKWJUZJBYJIU-UHFFFAOYSA-N
XLogP7.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.88
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenyl)-N-[4-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4144858
2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 4149905
N-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 2339769
2-(3,4-dimethylphenyl)-N-(1H-pyrazol-5-yl)quinoline-4-carboxamide
CID 70789439
2-(3,4-dichlorophenyl)-N-(4-ethylphenyl)quinoline-4-carboxamide
CID 3285016
N-(4-acetamido-3-chlorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 25470751
2-(3,4-dimethylphenyl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 4060767
N-(3,4-difluorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 1012287
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
N-(4-bromo-2-fluorophenyl)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide
CID 4685628
2-(4-bromophenyl)-N-(3-chloro-4-fluorophenyl)quinoline-4-carboxamide
CID 4589814
2-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 3128616

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide (CID 5054651) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c3ccccc3n2)cc1C.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide?
The InChIKey is ISKKWJUZJBYJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClF3N2O/c1-14-7-8-16(11-15(14)2)23-13-19(18-5-3-4-6-22(18)31-23)24(32)30-17-9-10-21(26)20(12-17)25(27,28)29/h3-13H,1-2H3,(H,30,32).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide has a molecular weight of 454.88 g/mol, XLogP of 7.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 5054651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).