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

C19H15F3N2O — CID 8966624

IUPAC2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide
SMILESCc1nc2ccccc2c(C)c1C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H15F3N2O/c1-11-13-7-3-5-9-15(13)23-12(2)17(11)18(25)24-16-10-6-4-8-14(16)19(20,21)22/h3-10H,1-2H3,(H,24,25)
InChIKeyDFKCKNGVMQXNEY-UHFFFAOYSA-N
MW344.34 g/mol
LogP5.12
Rot. Bonds2

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

2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide (PubChem CID 8966624) has the molecular formula C19H15F3N2O and a molecular weight of 344.34 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide
PubChem CID8966624
Molecular FormulaC19H15F3N2O
Molecular Weight344.34 g/mol
Exact Mass344.11
IUPAC Name2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide
SMILESCc1nc2ccccc2c(C)c1C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H15F3N2O/c1-11-13-7-3-5-9-15(13)23-12(2)17(11)18(25)24-16-10-6-4-8-14(16)19(20,21)22/h3-10H,1-2H3,(H,24,25)
InChIKeyDFKCKNGVMQXNEY-UHFFFAOYSA-N
XLogP5.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.34
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylquinolin-3-yl)-2,2,2-trifluoroethanone
CID 139234339
2,4-dimethylquinoline-3-carbohydrazide
CID 3811999
2-(2,5-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 2220779
2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxamide
CID 110684897
N-[(4-fluorophenyl)methyl]-2,4-dimethylquinoline-3-carboxamide
CID 9046354
2,3-dimethyl-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 110860798
N-[2-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 127043003
N,N,2,4-tetramethylquinoline-3-carboxamide
CID 30331894
5-methyl-3-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 1223086
N-[2-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 1278699
N-(2-iodophenyl)-2-methyl-4-phenylquinoline-3-carboxamide
CID 134138354
4-methyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 53080350

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide (CID 8966624) is 2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide is Cc1nc2ccccc2c(C)c1C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
The InChIKey is DFKCKNGVMQXNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O/c1-11-13-7-3-5-9-15(13)23-12(2)17(11)18(25)24-16-10-6-4-8-14(16)19(20,21)22/h3-10H,1-2H3,(H,24,25).
What are the key properties of 2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide has a molecular weight of 344.34 g/mol, XLogP of 5.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide is sourced from PubChem (CID 8966624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).