3,5,7-trimethyl-2-(trifluoromethyl)-1H-quinolin-4-one

C13H12F3NO — CID 63742357

IUPAC3,5,7-trimethyl-2-(trifluoromethyl)-1H-quinolin-4-one
SMILESCc1cc(C)c2c(=O)c(C)c(C(F)(F)F)[nH]c2c1
InChIInChI=1S/C13H12F3NO/c1-6-4-7(2)10-9(5-6)17-12(13(14,15)16)8(3)11(10)18/h4-5H,1-3H3,(H,17,18)
InChIKeyZHRAIGCNLXQLCV-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.47
Rot. Bonds

About 3,5,7-trimethyl-2-(trifluoromethyl)-1H-quinolin-4-one

3,5,7-trimethyl-2-(trifluoromethyl)-1H-quinolin-4-one (PubChem CID 63742357) has the molecular formula C13H12F3NO and a molecular weight of 255.24 g/mol. Its IUPAC name is 3,5,7-trimethyl-2-(trifluoromethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name3,5,7-trimethyl-2-(trifluoromethyl)-1H-quinolin-4-one
PubChem CID63742357
Molecular FormulaC13H12F3NO
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name3,5,7-trimethyl-2-(trifluoromethyl)-1H-quinolin-4-one
SMILESCc1cc(C)c2c(=O)c(C)c(C(F)(F)F)[nH]c2c1
InChIInChI=1S/C13H12F3NO/c1-6-4-7(2)10-9(5-6)17-12(13(14,15)16)8(3)11(10)18/h4-5H,1-3H3,(H,17,18)
InChIKeyZHRAIGCNLXQLCV-UHFFFAOYSA-N
XLogP3.47
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5,7-trimethyl-2-(trifluoromethyl)-1H-quinolin-4-one?
The IUPAC name of 3,5,7-trimethyl-2-(trifluoromethyl)-1H-quinolin-4-one (CID 63742357) is 3,5,7-trimethyl-2-(trifluoromethyl)-1H-quinolin-4-one.
What is the SMILES notation for 3,5,7-trimethyl-2-(trifluoromethyl)-1H-quinolin-4-one?
The canonical SMILES for 3,5,7-trimethyl-2-(trifluoromethyl)-1H-quinolin-4-one is Cc1cc(C)c2c(=O)c(C)c(C(F)(F)F)[nH]c2c1.
What is the InChIKey of 3,5,7-trimethyl-2-(trifluoromethyl)-1H-quinolin-4-one?
The InChIKey is ZHRAIGCNLXQLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO/c1-6-4-7(2)10-9(5-6)17-12(13(14,15)16)8(3)11(10)18/h4-5H,1-3H3,(H,17,18).
What are the key properties of 3,5,7-trimethyl-2-(trifluoromethyl)-1H-quinolin-4-one?
3,5,7-trimethyl-2-(trifluoromethyl)-1H-quinolin-4-one has a molecular weight of 255.24 g/mol, XLogP of 3.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trimethyl-2-(trifluoromethyl)-1H-quinolin-4-one is sourced from PubChem (CID 63742357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).