3-bromo-7,8-dihydro-6H-quinolin-5-one

C9H8BrNO — CID 67510937

IUPAC3-bromo-7,8-dihydro-6H-quinolin-5-one
SMILESO=C1CCCc2ncc(Br)cc21
InChIInChI=1S/C9H8BrNO/c10-6-4-7-8(11-5-6)2-1-3-9(7)12/h4-5H,1-3H2
InChIKeyUQWUIRUUIMHHEM-UHFFFAOYSA-N
MW226.07 g/mol
LogP2.36
Rot. Bonds

About 3-bromo-7,8-dihydro-6H-quinolin-5-one

3-bromo-7,8-dihydro-6H-quinolin-5-one (PubChem CID 67510937) has the molecular formula C9H8BrNO and a molecular weight of 226.07 g/mol. Its IUPAC name is 3-bromo-7,8-dihydro-6H-quinolin-5-one.

Molecular Properties

Compound Name3-bromo-7,8-dihydro-6H-quinolin-5-one
PubChem CID67510937
Molecular FormulaC9H8BrNO
Molecular Weight226.07 g/mol
Exact Mass224.98
IUPAC Name3-bromo-7,8-dihydro-6H-quinolin-5-one
SMILESO=C1CCCc2ncc(Br)cc21
InChIInChI=1S/C9H8BrNO/c10-6-4-7-8(11-5-6)2-1-3-9(7)12/h4-5H,1-3H2
InChIKeyUQWUIRUUIMHHEM-UHFFFAOYSA-N
XLogP2.36
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.07
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-bromo-7,8-dihydro-6H-quinolin-5-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 3-bromo-7,8-dihydro-6H-quinolin-5-one?
The IUPAC name of 3-bromo-7,8-dihydro-6H-quinolin-5-one (CID 67510937) is 3-bromo-7,8-dihydro-6H-quinolin-5-one.
What is the SMILES notation for 3-bromo-7,8-dihydro-6H-quinolin-5-one?
The canonical SMILES for 3-bromo-7,8-dihydro-6H-quinolin-5-one is O=C1CCCc2ncc(Br)cc21.
What is the InChIKey of 3-bromo-7,8-dihydro-6H-quinolin-5-one?
The InChIKey is UQWUIRUUIMHHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO/c10-6-4-7-8(11-5-6)2-1-3-9(7)12/h4-5H,1-3H2.
What are the key properties of 3-bromo-7,8-dihydro-6H-quinolin-5-one?
3-bromo-7,8-dihydro-6H-quinolin-5-one has a molecular weight of 226.07 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7,8-dihydro-6H-quinolin-5-one is sourced from PubChem (CID 67510937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).