3-methyl-2-(trifluoromethyl)-3H-quinolin-4-one

C11H8F3NO — CID 70385257

IUPAC3-methyl-2-(trifluoromethyl)-3H-quinolin-4-one
SMILESCC1C(=O)c2ccccc2N=C1C(F)(F)F
InChIInChI=1S/C11H8F3NO/c1-6-9(16)7-4-2-3-5-8(7)15-10(6)11(12,13)14/h2-6H,1H3
InChIKeyQPUDSRCJNCMIHW-UHFFFAOYSA-N
MW227.19 g/mol
LogP3.15
Rot. Bonds

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

3-methyl-2-(trifluoromethyl)-3H-quinolin-4-one (PubChem CID 70385257) has the molecular formula C11H8F3NO and a molecular weight of 227.19 g/mol. Its IUPAC name is 3-methyl-2-(trifluoromethyl)-3H-quinolin-4-one.

Molecular Properties

Compound Name3-methyl-2-(trifluoromethyl)-3H-quinolin-4-one
PubChem CID70385257
Molecular FormulaC11H8F3NO
Molecular Weight227.19 g/mol
Exact Mass227.06
IUPAC Name3-methyl-2-(trifluoromethyl)-3H-quinolin-4-one
SMILESCC1C(=O)c2ccccc2N=C1C(F)(F)F
InChIInChI=1S/C11H8F3NO/c1-6-9(16)7-4-2-3-5-8(7)15-10(6)11(12,13)14/h2-6H,1H3
InChIKeyQPUDSRCJNCMIHW-UHFFFAOYSA-N
XLogP3.15
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(trifluoromethyl)-3H-quinolin-4-one?
The IUPAC name of 3-methyl-2-(trifluoromethyl)-3H-quinolin-4-one (CID 70385257) is 3-methyl-2-(trifluoromethyl)-3H-quinolin-4-one.
What is the SMILES notation for 3-methyl-2-(trifluoromethyl)-3H-quinolin-4-one?
The canonical SMILES for 3-methyl-2-(trifluoromethyl)-3H-quinolin-4-one is CC1C(=O)c2ccccc2N=C1C(F)(F)F.
What is the InChIKey of 3-methyl-2-(trifluoromethyl)-3H-quinolin-4-one?
The InChIKey is QPUDSRCJNCMIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO/c1-6-9(16)7-4-2-3-5-8(7)15-10(6)11(12,13)14/h2-6H,1H3.
What are the key properties of 3-methyl-2-(trifluoromethyl)-3H-quinolin-4-one?
3-methyl-2-(trifluoromethyl)-3H-quinolin-4-one has a molecular weight of 227.19 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(trifluoromethyl)-3H-quinolin-4-one is sourced from PubChem (CID 70385257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).