8-bromo-7-fluoro-1-methylquinolin-2-one

C10H7BrFNO — CID 68511508

IUPAC8-bromo-7-fluoro-1-methylquinolin-2-one
SMILESCn1c(=O)ccc2ccc(F)c(Br)c21
InChIInChI=1S/C10H7BrFNO/c1-13-8(14)5-3-6-2-4-7(12)9(11)10(6)13/h2-5H,1H3
InChIKeyYIJIJGYAIZBDNW-UHFFFAOYSA-N
MW256.07 g/mol
LogP2.44
Rot. Bonds

About 8-bromo-7-fluoro-1-methylquinolin-2-one

8-bromo-7-fluoro-1-methylquinolin-2-one (PubChem CID 68511508) has the molecular formula C10H7BrFNO and a molecular weight of 256.07 g/mol. Its IUPAC name is 8-bromo-7-fluoro-1-methylquinolin-2-one.

Molecular Properties

Compound Name8-bromo-7-fluoro-1-methylquinolin-2-one
PubChem CID68511508
Molecular FormulaC10H7BrFNO
Molecular Weight256.07 g/mol
Exact Mass254.97
IUPAC Name8-bromo-7-fluoro-1-methylquinolin-2-one
SMILESCn1c(=O)ccc2ccc(F)c(Br)c21
InChIInChI=1S/C10H7BrFNO/c1-13-8(14)5-3-6-2-4-7(12)9(11)10(6)13/h2-5H,1H3
InChIKeyYIJIJGYAIZBDNW-UHFFFAOYSA-N
XLogP2.44
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.07
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-bromo-7-fluoro-1-methylquinolin-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

Related Compounds

8-bromo-1-ethyl-7-fluoroquinolin-2-one
CID 142490481
8-bromo-7-fluoro-1-(2-methylsulfonylethyl)quinolin-2-one
CID 137357769
8-methoxy-1-methylquinolin-2-one
CID 742791
8-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1-methylquinolin-2-one;hydrochloride
CID 68509637
7-bromo-6-fluoro-2-methylindazole
CID 83382772
2-(7-methoxy-1-methyl-2-oxoquinolin-8-yl)acetaldehyde
CID 86646251
8-(1,2-dihydroxyethyl)-1-methylquinolin-2-one
CID 131739844
4-bromo-7-fluoro-1-methylindazole
CID 118080283
(3R)-3-amino-5-fluoro-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one
CID 67351939
3-bromo-1-ethyl-2,4-difluorobenzene
CID 126670968
5-fluoro-3-hydroxy-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one;dihydrochloride
CID 142695262
1-(4-bromo-2-fluorophenyl)-5-methylpyridin-2-one
CID 141454449

Frequently Asked Questions

What is the IUPAC name of 8-bromo-7-fluoro-1-methylquinolin-2-one?
The IUPAC name of 8-bromo-7-fluoro-1-methylquinolin-2-one (CID 68511508) is 8-bromo-7-fluoro-1-methylquinolin-2-one.
What is the SMILES notation for 8-bromo-7-fluoro-1-methylquinolin-2-one?
The canonical SMILES for 8-bromo-7-fluoro-1-methylquinolin-2-one is Cn1c(=O)ccc2ccc(F)c(Br)c21.
What is the InChIKey of 8-bromo-7-fluoro-1-methylquinolin-2-one?
The InChIKey is YIJIJGYAIZBDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFNO/c1-13-8(14)5-3-6-2-4-7(12)9(11)10(6)13/h2-5H,1H3.
What are the key properties of 8-bromo-7-fluoro-1-methylquinolin-2-one?
8-bromo-7-fluoro-1-methylquinolin-2-one has a molecular weight of 256.07 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-7-fluoro-1-methylquinolin-2-one is sourced from PubChem (CID 68511508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).