3-chloro-2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one

C11H7ClF3NO — CID 121236449

IUPAC3-chloro-2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one
SMILESCc1[nH]c2cc(C(F)(F)F)ccc2c(=O)c1Cl
InChIInChI=1S/C11H7ClF3NO/c1-5-9(12)10(17)7-3-2-6(11(13,14)15)4-8(7)16-5/h2-4H,1H3,(H,16,17)
InChIKeyRSAOIZMNDXXGKZ-UHFFFAOYSA-N
MW261.63 g/mol
LogP3.51
Rot. Bonds

About 3-chloro-2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one

3-chloro-2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one (PubChem CID 121236449) has the molecular formula C11H7ClF3NO and a molecular weight of 261.63 g/mol. Its IUPAC name is 3-chloro-2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name3-chloro-2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one
PubChem CID121236449
Molecular FormulaC11H7ClF3NO
Molecular Weight261.63 g/mol
Exact Mass261.02
IUPAC Name3-chloro-2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one
SMILESCc1[nH]c2cc(C(F)(F)F)ccc2c(=O)c1Cl
InChIInChI=1S/C11H7ClF3NO/c1-5-9(12)10(17)7-3-2-6(11(13,14)15)4-8(7)16-5/h2-4H,1H3,(H,16,17)
InChIKeyRSAOIZMNDXXGKZ-UHFFFAOYSA-N
XLogP3.51
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.63
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chlorophenyl)-2-methyl-6-(trifluoromethyl)-1H-indole
CID 141083856
3-chloro-2-methyl-8-(trifluoromethyl)-1H-quinolin-4-one
CID 121236451
2-tert-butyl-7-(trifluoromethyl)-9H-carbazole
CID 46855216
3-chloro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,8-dimethyl-1H-quinolin-4-one
CID 141395526
dimethyl 4-oxo-7-(trifluoromethyl)-1H-quinoline-2,3-dicarboxylate
CID 18929856
6-bromo-3-chloro-5-fluoro-2-methyl-1H-quinolin-4-one;6-bromo-3-chloro-7-fluoro-2-methyl-1H-quinolin-4-one
CID 158216445
3-chloro-5-[6-[2-fluoro-5-(trifluoromethyl)phenyl]-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one
CID 11847736
6-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]pyridin-3-amine
CID 115110529
5-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]-1H-pyrazol-4-amine
CID 136986200
7-chloro-3-hydroxy-2-methyl-1H-quinolin-4-one
CID 70376894
3-chloro-5-[6-[2-fluoro-4-(trifluoromethyl)phenyl]-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one
CID 11847738
3-bromo-2-methyl-7-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-quinolin-4-one
CID 135127197

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one?
The IUPAC name of 3-chloro-2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one (CID 121236449) is 3-chloro-2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one.
What is the SMILES notation for 3-chloro-2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one?
The canonical SMILES for 3-chloro-2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one is Cc1[nH]c2cc(C(F)(F)F)ccc2c(=O)c1Cl.
What is the InChIKey of 3-chloro-2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one?
The InChIKey is RSAOIZMNDXXGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3NO/c1-5-9(12)10(17)7-3-2-6(11(13,14)15)4-8(7)16-5/h2-4H,1H3,(H,16,17).
What are the key properties of 3-chloro-2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one?
3-chloro-2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one has a molecular weight of 261.63 g/mol, XLogP of 3.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one is sourced from PubChem (CID 121236449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).