6-bromo-7-fluoro-3-(methoxymethyl)-3,4-dihydro-1H-quinoxalin-2-one

C10H10BrFN2O2 — CID 116739838

IUPAC6-bromo-7-fluoro-3-(methoxymethyl)-3,4-dihydro-1H-quinoxalin-2-one
SMILESCOCC1Nc2cc(Br)c(F)cc2NC1=O
InChIInChI=1S/C10H10BrFN2O2/c1-16-4-9-10(15)14-8-3-6(12)5(11)2-7(8)13-9/h2-3,9,13H,4H2,1H3,(H,14,15)
InChIKeySMQQHQUVJGFDMY-UHFFFAOYSA-N
MW289.10 g/mol
LogP1.97
Rot. Bonds2

About 6-bromo-7-fluoro-3-(methoxymethyl)-3,4-dihydro-1H-quinoxalin-2-one

6-bromo-7-fluoro-3-(methoxymethyl)-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 116739838) has the molecular formula C10H10BrFN2O2 and a molecular weight of 289.10 g/mol. Its IUPAC name is 6-bromo-7-fluoro-3-(methoxymethyl)-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6-bromo-7-fluoro-3-(methoxymethyl)-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID116739838
Molecular FormulaC10H10BrFN2O2
Molecular Weight289.10 g/mol
Exact Mass287.99
IUPAC Name6-bromo-7-fluoro-3-(methoxymethyl)-3,4-dihydro-1H-quinoxalin-2-one
SMILESCOCC1Nc2cc(Br)c(F)cc2NC1=O
InChIInChI=1S/C10H10BrFN2O2/c1-16-4-9-10(15)14-8-3-6(12)5(11)2-7(8)13-9/h2-3,9,13H,4H2,1H3,(H,14,15)
InChIKeySMQQHQUVJGFDMY-UHFFFAOYSA-N
XLogP1.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.10
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-bromo-7-fluoro-3-(methoxymethyl)-3,4-dihydro-1H-quinoxalin-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

7-bromo-6-fluoro-3-(2-methylsulfonylethyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 79290887
6-bromo-7-fluoro-3-(2-phenylethyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 114920979
6-bromo-7-fluoro-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoxaline
CID 81082002
3-ethyl-6,7-difluoro-3,4-dihydro-1H-quinoxalin-2-one
CID 82156858
3-(methoxymethyl)-2-oxo-3,4-dihydro-1H-quinoxaline-6-carboxylic acid
CID 82790960
6-bromo-3-cyclohexyl-7-fluoro-3,4-dihydro-1H-quinoxalin-2-one
CID 116739803
3-bromo-2-fluoro-5,6a,7,8,9,10,10a,11-octahydrobenzo[b][1,4]benzodiazepin-6-one
CID 79295859
7-bromo-6-fluoro-3-thiophen-2-yl-3,4-dihydro-1H-quinoxalin-2-one
CID 113278973
7-fluoro-6-methyl-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 103594407
6-bromo-3-(2-methoxyethyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 79290350
3-butyl-6-fluoro-7-iodo-3,4-dihydro-1H-quinoxalin-2-one
CID 79291171
2-(methoxymethyl)-3-oxo-2,4-dihydro-1H-quinoxaline-5-carbonitrile
CID 104720315

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-fluoro-3-(methoxymethyl)-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 6-bromo-7-fluoro-3-(methoxymethyl)-3,4-dihydro-1H-quinoxalin-2-one (CID 116739838) is 6-bromo-7-fluoro-3-(methoxymethyl)-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 6-bromo-7-fluoro-3-(methoxymethyl)-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 6-bromo-7-fluoro-3-(methoxymethyl)-3,4-dihydro-1H-quinoxalin-2-one is COCC1Nc2cc(Br)c(F)cc2NC1=O.
What is the InChIKey of 6-bromo-7-fluoro-3-(methoxymethyl)-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is SMQQHQUVJGFDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2O2/c1-16-4-9-10(15)14-8-3-6(12)5(11)2-7(8)13-9/h2-3,9,13H,4H2,1H3,(H,14,15).
What are the key properties of 6-bromo-7-fluoro-3-(methoxymethyl)-3,4-dihydro-1H-quinoxalin-2-one?
6-bromo-7-fluoro-3-(methoxymethyl)-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 289.10 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-fluoro-3-(methoxymethyl)-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 116739838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).