6-bromo-7,8-dihydro-1H-quinolin-2-one

C9H8BrNO — CID 69104979

IUPAC6-bromo-7,8-dihydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCC(Br)=C2
InChIInChI=1S/C9H8BrNO/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1,4-5H,2-3H2,(H,11,12)
InChIKeyNNKKUXKWBJFDTG-UHFFFAOYSA-N
MW226.07 g/mol
LogP2.06
Rot. Bonds

About 6-bromo-7,8-dihydro-1H-quinolin-2-one

6-bromo-7,8-dihydro-1H-quinolin-2-one (PubChem CID 69104979) has the molecular formula C9H8BrNO and a molecular weight of 226.07 g/mol. Its IUPAC name is 6-bromo-7,8-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-bromo-7,8-dihydro-1H-quinolin-2-one
PubChem CID69104979
Molecular FormulaC9H8BrNO
Molecular Weight226.07 g/mol
Exact Mass224.98
IUPAC Name6-bromo-7,8-dihydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCC(Br)=C2
InChIInChI=1S/C9H8BrNO/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1,4-5H,2-3H2,(H,11,12)
InChIKeyNNKKUXKWBJFDTG-UHFFFAOYSA-N
XLogP2.06
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.07
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-bromo-7,8-dihydro-1H-quinolin-2-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 6-bromo-7,8-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-bromo-7,8-dihydro-1H-quinolin-2-one (CID 69104979) is 6-bromo-7,8-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-bromo-7,8-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-bromo-7,8-dihydro-1H-quinolin-2-one is O=c1ccc2c([nH]1)CCC(Br)=C2.
What is the InChIKey of 6-bromo-7,8-dihydro-1H-quinolin-2-one?
The InChIKey is NNKKUXKWBJFDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1,4-5H,2-3H2,(H,11,12).
What are the key properties of 6-bromo-7,8-dihydro-1H-quinolin-2-one?
6-bromo-7,8-dihydro-1H-quinolin-2-one has a molecular weight of 226.07 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7,8-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 69104979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).