5-methyl-7-(trifluoromethyl)-1H-quinolin-4-one

C11H8F3NO — CID 169178050

IUPAC5-methyl-7-(trifluoromethyl)-1H-quinolin-4-one
SMILESCc1cc(C(F)(F)F)cc2[nH]ccc(=O)c12
InChIInChI=1S/C11H8F3NO/c1-6-4-7(11(12,13)14)5-8-10(6)9(16)2-3-15-8/h2-5H,1H3,(H,15,16)
InChIKeyBKIPUJVVNLAUIC-UHFFFAOYSA-N
MW227.19 g/mol
LogP2.86
Rot. Bonds

About 5-methyl-7-(trifluoromethyl)-1H-quinolin-4-one

5-methyl-7-(trifluoromethyl)-1H-quinolin-4-one (PubChem CID 169178050) has the molecular formula C11H8F3NO and a molecular weight of 227.19 g/mol. Its IUPAC name is 5-methyl-7-(trifluoromethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name5-methyl-7-(trifluoromethyl)-1H-quinolin-4-one
PubChem CID169178050
Molecular FormulaC11H8F3NO
Molecular Weight227.19 g/mol
Exact Mass227.06
IUPAC Name5-methyl-7-(trifluoromethyl)-1H-quinolin-4-one
SMILESCc1cc(C(F)(F)F)cc2[nH]ccc(=O)c12
InChIInChI=1S/C11H8F3NO/c1-6-4-7(11(12,13)14)5-8-10(6)9(16)2-3-15-8/h2-5H,1H3,(H,15,16)
InChIKeyBKIPUJVVNLAUIC-UHFFFAOYSA-N
XLogP2.86
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-6-(trifluoromethyl)-1H-indole
CID 70228775
5,6,7-trifluoro-1H-quinolin-4-one
CID 62813764
4-propan-2-yl-6-(trifluoromethyl)-1H-indole
CID 58507761
8-bromo-6-(trifluoromethyl)-1H-quinolin-4-one
CID 130131648
6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-quinolin-4-one
CID 174912605
4-methoxy-7-(trifluoromethyl)quinoline;7-(trifluoromethyl)-1H-quinolin-4-one
CID 160718502
7-chloro-6-methyl-1H-quinolin-4-one
CID 53418924
4-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 133091903
7-bromo-5,6-dichloro-1H-quinolin-4-one
CID 138678826
methyl 5,7-difluoro-4-oxo-1H-quinoline-6-carboxylate
CID 168754201
3-chloro-2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one
CID 121236449
5-chloro-6-methyl-2-(trifluoromethyl)-1H-quinolin-4-one
CID 2773787

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(trifluoromethyl)-1H-quinolin-4-one?
The IUPAC name of 5-methyl-7-(trifluoromethyl)-1H-quinolin-4-one (CID 169178050) is 5-methyl-7-(trifluoromethyl)-1H-quinolin-4-one.
What is the SMILES notation for 5-methyl-7-(trifluoromethyl)-1H-quinolin-4-one?
The canonical SMILES for 5-methyl-7-(trifluoromethyl)-1H-quinolin-4-one is Cc1cc(C(F)(F)F)cc2[nH]ccc(=O)c12.
What is the InChIKey of 5-methyl-7-(trifluoromethyl)-1H-quinolin-4-one?
The InChIKey is BKIPUJVVNLAUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO/c1-6-4-7(11(12,13)14)5-8-10(6)9(16)2-3-15-8/h2-5H,1H3,(H,15,16).
What are the key properties of 5-methyl-7-(trifluoromethyl)-1H-quinolin-4-one?
5-methyl-7-(trifluoromethyl)-1H-quinolin-4-one has a molecular weight of 227.19 g/mol, XLogP of 2.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(trifluoromethyl)-1H-quinolin-4-one is sourced from PubChem (CID 169178050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).