2-acetyl-3-bromoquinolizin-4-one

C11H8BrNO2 — CID 118627640

IUPAC2-acetyl-3-bromoquinolizin-4-one
SMILESCC(=O)c1cc2ccccn2c(=O)c1Br
InChIInChI=1S/C11H8BrNO2/c1-7(14)9-6-8-4-2-3-5-13(8)11(15)10(9)12/h2-6H,1H3
InChIKeyDKXLGQIKXRHZPP-UHFFFAOYSA-N
MW266.09 g/mol
LogP2.26
Rot. Bonds1

About 2-acetyl-3-bromoquinolizin-4-one

2-acetyl-3-bromoquinolizin-4-one (PubChem CID 118627640) has the molecular formula C11H8BrNO2 and a molecular weight of 266.09 g/mol. Its IUPAC name is 2-acetyl-3-bromoquinolizin-4-one.

Molecular Properties

Compound Name2-acetyl-3-bromoquinolizin-4-one
PubChem CID118627640
Molecular FormulaC11H8BrNO2
Molecular Weight266.09 g/mol
Exact Mass264.97
IUPAC Name2-acetyl-3-bromoquinolizin-4-one
SMILESCC(=O)c1cc2ccccn2c(=O)c1Br
InChIInChI=1S/C11H8BrNO2/c1-7(14)9-6-8-4-2-3-5-13(8)11(15)10(9)12/h2-6H,1H3
InChIKeyDKXLGQIKXRHZPP-UHFFFAOYSA-N
XLogP2.26
TPSA38.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.09
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-acetyl-3-bromoquinolizin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-3-bromoquinolizin-4-one?
The IUPAC name of 2-acetyl-3-bromoquinolizin-4-one (CID 118627640) is 2-acetyl-3-bromoquinolizin-4-one.
What is the SMILES notation for 2-acetyl-3-bromoquinolizin-4-one?
The canonical SMILES for 2-acetyl-3-bromoquinolizin-4-one is CC(=O)c1cc2ccccn2c(=O)c1Br.
What is the InChIKey of 2-acetyl-3-bromoquinolizin-4-one?
The InChIKey is DKXLGQIKXRHZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO2/c1-7(14)9-6-8-4-2-3-5-13(8)11(15)10(9)12/h2-6H,1H3.
What are the key properties of 2-acetyl-3-bromoquinolizin-4-one?
2-acetyl-3-bromoquinolizin-4-one has a molecular weight of 266.09 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-3-bromoquinolizin-4-one is sourced from PubChem (CID 118627640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).