2-methyl-7-(trifluoromethyl)quinoline-4-carboxamide

C12H9F3N2O — CID 82574068

IUPAC2-methyl-7-(trifluoromethyl)quinoline-4-carboxamide
SMILESCc1cc(C(N)=O)c2ccc(C(F)(F)F)cc2n1
InChIInChI=1S/C12H9F3N2O/c1-6-4-9(11(16)18)8-3-2-7(12(13,14)15)5-10(8)17-6/h2-5H,1H3,(H2,16,18)
InChIKeyOGYZWLVLVVDXRG-UHFFFAOYSA-N
MW254.21 g/mol
LogP2.66
Rot. Bonds1

About 2-methyl-7-(trifluoromethyl)quinoline-4-carboxamide

2-methyl-7-(trifluoromethyl)quinoline-4-carboxamide (PubChem CID 82574068) has the molecular formula C12H9F3N2O and a molecular weight of 254.21 g/mol. Its IUPAC name is 2-methyl-7-(trifluoromethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-methyl-7-(trifluoromethyl)quinoline-4-carboxamide
PubChem CID82574068
Molecular FormulaC12H9F3N2O
Molecular Weight254.21 g/mol
Exact Mass254.07
IUPAC Name2-methyl-7-(trifluoromethyl)quinoline-4-carboxamide
SMILESCc1cc(C(N)=O)c2ccc(C(F)(F)F)cc2n1
InChIInChI=1S/C12H9F3N2O/c1-6-4-9(11(16)18)8-3-2-7(12(13,14)15)5-10(8)17-6/h2-5H,1H3,(H2,16,18)
InChIKeyOGYZWLVLVVDXRG-UHFFFAOYSA-N
XLogP2.66
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-2-methylquinoline-4-carboxamide
CID 82574049
2,6-bis(trifluoromethyl)quinoline-4-carboxamide
CID 97054560
N-hydroxy-2-methyl-6-(trifluoromethyl)quinoline-4-carboxamide
CID 82574503
N,4-dimethyl-4-[[2-methyl-7-(trifluoromethyl)quinolin-4-yl]amino]pentanamide
CID 135095592
6-iodo-2-methylquinoline-4-carboxamide
CID 12511256
1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]pyrrolidine-3-carboxylic acid
CID 135116153
2-methyl-4-(1,2,4-triazol-1-yl)-7-(trifluoromethyl)quinoline
CID 14837837
N-(3,5-dimethylphenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine
CID 23477036
2,7,8-trimethylquinoline-4-carboxamide
CID 82574045
6-(trifluoromethyl)acridine-4-carboxamide
CID 174361443
1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]pyrrolidine-2-carboxylic acid
CID 23477096
[5-chloro-2-[[2-methyl-7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]-phenylmethanone
CID 23477016

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(trifluoromethyl)quinoline-4-carboxamide?
The IUPAC name of 2-methyl-7-(trifluoromethyl)quinoline-4-carboxamide (CID 82574068) is 2-methyl-7-(trifluoromethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-methyl-7-(trifluoromethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-methyl-7-(trifluoromethyl)quinoline-4-carboxamide is Cc1cc(C(N)=O)c2ccc(C(F)(F)F)cc2n1.
What is the InChIKey of 2-methyl-7-(trifluoromethyl)quinoline-4-carboxamide?
The InChIKey is OGYZWLVLVVDXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O/c1-6-4-9(11(16)18)8-3-2-7(12(13,14)15)5-10(8)17-6/h2-5H,1H3,(H2,16,18).
What are the key properties of 2-methyl-7-(trifluoromethyl)quinoline-4-carboxamide?
2-methyl-7-(trifluoromethyl)quinoline-4-carboxamide has a molecular weight of 254.21 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(trifluoromethyl)quinoline-4-carboxamide is sourced from PubChem (CID 82574068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).