3,6-dimethyl-4-(trifluoromethyl)quinolizin-2-one

C12H10F3NO — CID 59284264

IUPAC3,6-dimethyl-4-(trifluoromethyl)quinolizin-2-one
SMILESCc1c(C(F)(F)F)n2c(C)cccc2cc1=O
InChIInChI=1S/C12H10F3NO/c1-7-4-3-5-9-6-10(17)8(2)11(16(7)9)12(13,14)15/h3-6H,1-2H3
InChIKeyYVINYQXNFJPXEE-UHFFFAOYSA-N
MW241.21 g/mol
LogP2.94
Rot. Bonds

About 3,6-dimethyl-4-(trifluoromethyl)quinolizin-2-one

3,6-dimethyl-4-(trifluoromethyl)quinolizin-2-one (PubChem CID 59284264) has the molecular formula C12H10F3NO and a molecular weight of 241.21 g/mol. Its IUPAC name is 3,6-dimethyl-4-(trifluoromethyl)quinolizin-2-one.

Molecular Properties

Compound Name3,6-dimethyl-4-(trifluoromethyl)quinolizin-2-one
PubChem CID59284264
Molecular FormulaC12H10F3NO
Molecular Weight241.21 g/mol
Exact Mass241.07
IUPAC Name3,6-dimethyl-4-(trifluoromethyl)quinolizin-2-one
SMILESCc1c(C(F)(F)F)n2c(C)cccc2cc1=O
InChIInChI=1S/C12H10F3NO/c1-7-4-3-5-9-6-10(17)8(2)11(16(7)9)12(13,14)15/h3-6H,1-2H3
InChIKeyYVINYQXNFJPXEE-UHFFFAOYSA-N
XLogP2.94
TPSA21.48 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 ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-ethyl-1-propyl-2H-pyridin-5-yl)-2,2,2-trifluoroethanone
CID 71560949
1-(1,6-dipropyl-2H-pyridin-5-yl)-2,2,2-trifluoroethanone
CID 102429593
3-Methyl-4-(trifluoromethyl)quinolizin-2-one
CID 59283993
(E)-4-[cyclohexa-1,5-dien-1-yl(prop-1-en-2-yl)amino]-3-ethenyl-5,5,5-trifluoropent-3-en-2-one
CID 167269740
1-Methyl-2,4-bis(trifluoromethyl)quinolin-7(1H)-one
CID 13260708
1-[1,6-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]ethanone
CID 171107529

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-4-(trifluoromethyl)quinolizin-2-one?
The IUPAC name of 3,6-dimethyl-4-(trifluoromethyl)quinolizin-2-one (CID 59284264) is 3,6-dimethyl-4-(trifluoromethyl)quinolizin-2-one.
What is the SMILES notation for 3,6-dimethyl-4-(trifluoromethyl)quinolizin-2-one?
The canonical SMILES for 3,6-dimethyl-4-(trifluoromethyl)quinolizin-2-one is Cc1c(C(F)(F)F)n2c(C)cccc2cc1=O.
What is the InChIKey of 3,6-dimethyl-4-(trifluoromethyl)quinolizin-2-one?
The InChIKey is YVINYQXNFJPXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO/c1-7-4-3-5-9-6-10(17)8(2)11(16(7)9)12(13,14)15/h3-6H,1-2H3.
What are the key properties of 3,6-dimethyl-4-(trifluoromethyl)quinolizin-2-one?
3,6-dimethyl-4-(trifluoromethyl)quinolizin-2-one has a molecular weight of 241.21 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-4-(trifluoromethyl)quinolizin-2-one is sourced from PubChem (CID 59284264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).