1-(8-fluoro-3-methylquinoxalin-2-yl)ethanone

C11H9FN2O — CID 71278196

IUPAC1-(8-fluoro-3-methylquinoxalin-2-yl)ethanone
SMILESCC(=O)c1nc2c(F)cccc2nc1C
InChIInChI=1S/C11H9FN2O/c1-6-10(7(2)15)14-11-8(12)4-3-5-9(11)13-6/h3-5H,1-2H3
InChIKeyUMQAGUZSVVQSRD-UHFFFAOYSA-N
MW204.20 g/mol
LogP2.28
Rot. Bonds1

About 1-(8-fluoro-3-methylquinoxalin-2-yl)ethanone

1-(8-fluoro-3-methylquinoxalin-2-yl)ethanone (PubChem CID 71278196) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is 1-(8-fluoro-3-methylquinoxalin-2-yl)ethanone.

Molecular Properties

Compound Name1-(8-fluoro-3-methylquinoxalin-2-yl)ethanone
PubChem CID71278196
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name1-(8-fluoro-3-methylquinoxalin-2-yl)ethanone
SMILESCC(=O)c1nc2c(F)cccc2nc1C
InChIInChI=1S/C11H9FN2O/c1-6-10(7(2)15)14-11-8(12)4-3-5-9(11)13-6/h3-5H,1-2H3
InChIKeyUMQAGUZSVVQSRD-UHFFFAOYSA-N
XLogP2.28
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(8-fluoro-3-methylquinoxalin-2-yl)ethanone 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 1-(8-fluoro-3-methylquinoxalin-2-yl)ethanone?
The IUPAC name of 1-(8-fluoro-3-methylquinoxalin-2-yl)ethanone (CID 71278196) is 1-(8-fluoro-3-methylquinoxalin-2-yl)ethanone.
What is the SMILES notation for 1-(8-fluoro-3-methylquinoxalin-2-yl)ethanone?
The canonical SMILES for 1-(8-fluoro-3-methylquinoxalin-2-yl)ethanone is CC(=O)c1nc2c(F)cccc2nc1C.
What is the InChIKey of 1-(8-fluoro-3-methylquinoxalin-2-yl)ethanone?
The InChIKey is UMQAGUZSVVQSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O/c1-6-10(7(2)15)14-11-8(12)4-3-5-9(11)13-6/h3-5H,1-2H3.
What are the key properties of 1-(8-fluoro-3-methylquinoxalin-2-yl)ethanone?
1-(8-fluoro-3-methylquinoxalin-2-yl)ethanone has a molecular weight of 204.20 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-fluoro-3-methylquinoxalin-2-yl)ethanone is sourced from PubChem (CID 71278196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).