3-methyl-2-(trifluoromethyl)quinolizin-4-one

C11H8F3NO — CID 59284176

IUPAC3-methyl-2-(trifluoromethyl)quinolizin-4-one
SMILESCc1c(C(F)(F)F)cc2ccccn2c1=O
InChIInChI=1S/C11H8F3NO/c1-7-9(11(12,13)14)6-8-4-2-3-5-15(8)10(7)16/h2-6H,1H3
InChIKeyLWZFWXCXXLDNLP-UHFFFAOYSA-N
MW227.19 g/mol
LogP2.63
Rot. Bonds

About 3-methyl-2-(trifluoromethyl)quinolizin-4-one

3-methyl-2-(trifluoromethyl)quinolizin-4-one (PubChem CID 59284176) has the molecular formula C11H8F3NO and a molecular weight of 227.19 g/mol. Its IUPAC name is 3-methyl-2-(trifluoromethyl)quinolizin-4-one.

Molecular Properties

Compound Name3-methyl-2-(trifluoromethyl)quinolizin-4-one
PubChem CID59284176
Molecular FormulaC11H8F3NO
Molecular Weight227.19 g/mol
Exact Mass227.06
IUPAC Name3-methyl-2-(trifluoromethyl)quinolizin-4-one
SMILESCc1c(C(F)(F)F)cc2ccccn2c1=O
InChIInChI=1S/C11H8F3NO/c1-7-9(11(12,13)14)6-8-4-2-3-5-15(8)10(7)16/h2-6H,1H3
InChIKeyLWZFWXCXXLDNLP-UHFFFAOYSA-N
XLogP2.63
TPSA21.48 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 ≤ 52.63
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)quinolizin-4-one?
The IUPAC name of 3-methyl-2-(trifluoromethyl)quinolizin-4-one (CID 59284176) is 3-methyl-2-(trifluoromethyl)quinolizin-4-one.
What is the SMILES notation for 3-methyl-2-(trifluoromethyl)quinolizin-4-one?
The canonical SMILES for 3-methyl-2-(trifluoromethyl)quinolizin-4-one is Cc1c(C(F)(F)F)cc2ccccn2c1=O.
What is the InChIKey of 3-methyl-2-(trifluoromethyl)quinolizin-4-one?
The InChIKey is LWZFWXCXXLDNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO/c1-7-9(11(12,13)14)6-8-4-2-3-5-15(8)10(7)16/h2-6H,1H3.
What are the key properties of 3-methyl-2-(trifluoromethyl)quinolizin-4-one?
3-methyl-2-(trifluoromethyl)quinolizin-4-one has a molecular weight of 227.19 g/mol, XLogP of 2.63, 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)quinolizin-4-one is sourced from PubChem (CID 59284176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).