3-methyl-6-(trifluoromethoxy)-1H-quinolin-4-one

C11H8F3NO2 — CID 71146329

IUPAC3-methyl-6-(trifluoromethoxy)-1H-quinolin-4-one
SMILESCc1c[nH]c2ccc(OC(F)(F)F)cc2c1=O
InChIInChI=1S/C11H8F3NO2/c1-6-5-15-9-3-2-7(17-11(12,13)14)4-8(9)10(6)16/h2-5H,1H3,(H,15,16)
InChIKeyUOXCDEJMUKGTEG-UHFFFAOYSA-N
MW243.18 g/mol
LogP2.74
Rot. Bonds1

About 3-methyl-6-(trifluoromethoxy)-1H-quinolin-4-one

3-methyl-6-(trifluoromethoxy)-1H-quinolin-4-one (PubChem CID 71146329) has the molecular formula C11H8F3NO2 and a molecular weight of 243.18 g/mol. Its IUPAC name is 3-methyl-6-(trifluoromethoxy)-1H-quinolin-4-one.

Molecular Properties

Compound Name3-methyl-6-(trifluoromethoxy)-1H-quinolin-4-one
PubChem CID71146329
Molecular FormulaC11H8F3NO2
Molecular Weight243.18 g/mol
Exact Mass243.05
IUPAC Name3-methyl-6-(trifluoromethoxy)-1H-quinolin-4-one
SMILESCc1c[nH]c2ccc(OC(F)(F)F)cc2c1=O
InChIInChI=1S/C11H8F3NO2/c1-6-5-15-9-3-2-7(17-11(12,13)14)4-8(9)10(6)16/h2-5H,1H3,(H,15,16)
InChIKeyUOXCDEJMUKGTEG-UHFFFAOYSA-N
XLogP2.74
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(trifluoromethoxy)-1H-quinolin-4-one?
The IUPAC name of 3-methyl-6-(trifluoromethoxy)-1H-quinolin-4-one (CID 71146329) is 3-methyl-6-(trifluoromethoxy)-1H-quinolin-4-one.
What is the SMILES notation for 3-methyl-6-(trifluoromethoxy)-1H-quinolin-4-one?
The canonical SMILES for 3-methyl-6-(trifluoromethoxy)-1H-quinolin-4-one is Cc1c[nH]c2ccc(OC(F)(F)F)cc2c1=O.
What is the InChIKey of 3-methyl-6-(trifluoromethoxy)-1H-quinolin-4-one?
The InChIKey is UOXCDEJMUKGTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO2/c1-6-5-15-9-3-2-7(17-11(12,13)14)4-8(9)10(6)16/h2-5H,1H3,(H,15,16).
What are the key properties of 3-methyl-6-(trifluoromethoxy)-1H-quinolin-4-one?
3-methyl-6-(trifluoromethoxy)-1H-quinolin-4-one has a molecular weight of 243.18 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(trifluoromethoxy)-1H-quinolin-4-one is sourced from PubChem (CID 71146329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).