3,8-dimethyl-6-(trifluoromethyl)-3H-quinolin-4-one

C12H10F3NO — CID 171373182

IUPAC3,8-dimethyl-6-(trifluoromethyl)-3H-quinolin-4-one
SMILESCc1cc(C(F)(F)F)cc2c1N=CC(C)C2=O
InChIInChI=1S/C12H10F3NO/c1-6-3-8(12(13,14)15)4-9-10(6)16-5-7(2)11(9)17/h3-5,7H,1-2H3
InChIKeyPAKNXJQOOIJZOW-UHFFFAOYSA-N
MW241.21 g/mol
LogP3.55
Rot. Bonds

About 3,8-dimethyl-6-(trifluoromethyl)-3H-quinolin-4-one

3,8-dimethyl-6-(trifluoromethyl)-3H-quinolin-4-one (PubChem CID 171373182) has the molecular formula C12H10F3NO and a molecular weight of 241.21 g/mol. Its IUPAC name is 3,8-dimethyl-6-(trifluoromethyl)-3H-quinolin-4-one.

Molecular Properties

Compound Name3,8-dimethyl-6-(trifluoromethyl)-3H-quinolin-4-one
PubChem CID171373182
Molecular FormulaC12H10F3NO
Molecular Weight241.21 g/mol
Exact Mass241.07
IUPAC Name3,8-dimethyl-6-(trifluoromethyl)-3H-quinolin-4-one
SMILESCc1cc(C(F)(F)F)cc2c1N=CC(C)C2=O
InChIInChI=1S/C12H10F3NO/c1-6-3-8(12(13,14)15)4-9-10(6)16-5-7(2)11(9)17/h3-5,7H,1-2H3
InChIKeyPAKNXJQOOIJZOW-UHFFFAOYSA-N
XLogP3.55
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-6-(trifluoromethyl)-3H-quinolin-4-one?
The IUPAC name of 3,8-dimethyl-6-(trifluoromethyl)-3H-quinolin-4-one (CID 171373182) is 3,8-dimethyl-6-(trifluoromethyl)-3H-quinolin-4-one.
What is the SMILES notation for 3,8-dimethyl-6-(trifluoromethyl)-3H-quinolin-4-one?
The canonical SMILES for 3,8-dimethyl-6-(trifluoromethyl)-3H-quinolin-4-one is Cc1cc(C(F)(F)F)cc2c1N=CC(C)C2=O.
What is the InChIKey of 3,8-dimethyl-6-(trifluoromethyl)-3H-quinolin-4-one?
The InChIKey is PAKNXJQOOIJZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO/c1-6-3-8(12(13,14)15)4-9-10(6)16-5-7(2)11(9)17/h3-5,7H,1-2H3.
What are the key properties of 3,8-dimethyl-6-(trifluoromethyl)-3H-quinolin-4-one?
3,8-dimethyl-6-(trifluoromethyl)-3H-quinolin-4-one has a molecular weight of 241.21 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-6-(trifluoromethyl)-3H-quinolin-4-one is sourced from PubChem (CID 171373182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).