3-bromo-9-(trifluoromethyl)quinolizin-4-one

C10H5BrF3NO — CID 115052873

IUPAC3-bromo-9-(trifluoromethyl)quinolizin-4-one
SMILESO=c1c(Br)ccc2c(C(F)(F)F)cccn12
InChIInChI=1S/C10H5BrF3NO/c11-7-3-4-8-6(10(12,13)14)2-1-5-15(8)9(7)16/h1-5H
InChIKeyMKWFPGOAUNLULI-UHFFFAOYSA-N
MW292.05 g/mol
LogP3.08
Rot. Bonds

About 3-bromo-9-(trifluoromethyl)quinolizin-4-one

3-bromo-9-(trifluoromethyl)quinolizin-4-one (PubChem CID 115052873) has the molecular formula C10H5BrF3NO and a molecular weight of 292.05 g/mol. Its IUPAC name is 3-bromo-9-(trifluoromethyl)quinolizin-4-one.

Molecular Properties

Compound Name3-bromo-9-(trifluoromethyl)quinolizin-4-one
PubChem CID115052873
Molecular FormulaC10H5BrF3NO
Molecular Weight292.05 g/mol
Exact Mass290.95
IUPAC Name3-bromo-9-(trifluoromethyl)quinolizin-4-one
SMILESO=c1c(Br)ccc2c(C(F)(F)F)cccn12
InChIInChI=1S/C10H5BrF3NO/c11-7-3-4-8-6(10(12,13)14)2-1-5-15(8)9(7)16/h1-5H
InChIKeyMKWFPGOAUNLULI-UHFFFAOYSA-N
XLogP3.08
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.05
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-(trifluoromethyl)quinolizin-4-one?
The IUPAC name of 3-bromo-9-(trifluoromethyl)quinolizin-4-one (CID 115052873) is 3-bromo-9-(trifluoromethyl)quinolizin-4-one.
What is the SMILES notation for 3-bromo-9-(trifluoromethyl)quinolizin-4-one?
The canonical SMILES for 3-bromo-9-(trifluoromethyl)quinolizin-4-one is O=c1c(Br)ccc2c(C(F)(F)F)cccn12.
What is the InChIKey of 3-bromo-9-(trifluoromethyl)quinolizin-4-one?
The InChIKey is MKWFPGOAUNLULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF3NO/c11-7-3-4-8-6(10(12,13)14)2-1-5-15(8)9(7)16/h1-5H.
What are the key properties of 3-bromo-9-(trifluoromethyl)quinolizin-4-one?
3-bromo-9-(trifluoromethyl)quinolizin-4-one has a molecular weight of 292.05 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9-(trifluoromethyl)quinolizin-4-one is sourced from PubChem (CID 115052873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).