9-bromo-7-fluoro-2-hydroxy-3-methylquinolizin-4-one

C10H7BrFNO2 — CID 177352518

IUPAC9-bromo-7-fluoro-2-hydroxy-3-methylquinolizin-4-one
SMILESCc1c(O)cc2c(Br)cc(F)cn2c1=O
InChIInChI=1S/C10H7BrFNO2/c1-5-9(14)3-8-7(11)2-6(12)4-13(8)10(5)15/h2-4,14H,1H3
InChIKeyUCPBFRLYTZBGBL-UHFFFAOYSA-N
MW272.07 g/mol
LogP2.22
Rot. Bonds

About 9-bromo-7-fluoro-2-hydroxy-3-methylquinolizin-4-one

9-bromo-7-fluoro-2-hydroxy-3-methylquinolizin-4-one (PubChem CID 177352518) has the molecular formula C10H7BrFNO2 and a molecular weight of 272.07 g/mol. Its IUPAC name is 9-bromo-7-fluoro-2-hydroxy-3-methylquinolizin-4-one.

Molecular Properties

Compound Name9-bromo-7-fluoro-2-hydroxy-3-methylquinolizin-4-one
PubChem CID177352518
Molecular FormulaC10H7BrFNO2
Molecular Weight272.07 g/mol
Exact Mass270.96
IUPAC Name9-bromo-7-fluoro-2-hydroxy-3-methylquinolizin-4-one
SMILESCc1c(O)cc2c(Br)cc(F)cn2c1=O
InChIInChI=1S/C10H7BrFNO2/c1-5-9(14)3-8-7(11)2-6(12)4-13(8)10(5)15/h2-4,14H,1H3
InChIKeyUCPBFRLYTZBGBL-UHFFFAOYSA-N
XLogP2.22
TPSA41.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.07
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-bromo-7-fluoro-2-hydroxy-3-methylquinolizin-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 9-bromo-7-fluoro-2-hydroxy-3-methylquinolizin-4-one?
The IUPAC name of 9-bromo-7-fluoro-2-hydroxy-3-methylquinolizin-4-one (CID 177352518) is 9-bromo-7-fluoro-2-hydroxy-3-methylquinolizin-4-one.
What is the SMILES notation for 9-bromo-7-fluoro-2-hydroxy-3-methylquinolizin-4-one?
The canonical SMILES for 9-bromo-7-fluoro-2-hydroxy-3-methylquinolizin-4-one is Cc1c(O)cc2c(Br)cc(F)cn2c1=O.
What is the InChIKey of 9-bromo-7-fluoro-2-hydroxy-3-methylquinolizin-4-one?
The InChIKey is UCPBFRLYTZBGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFNO2/c1-5-9(14)3-8-7(11)2-6(12)4-13(8)10(5)15/h2-4,14H,1H3.
What are the key properties of 9-bromo-7-fluoro-2-hydroxy-3-methylquinolizin-4-one?
9-bromo-7-fluoro-2-hydroxy-3-methylquinolizin-4-one has a molecular weight of 272.07 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-7-fluoro-2-hydroxy-3-methylquinolizin-4-one is sourced from PubChem (CID 177352518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).