7-bromo-6-fluoro-1-methyl-3,4-dihydroquinoxalin-2-one

C9H8BrFN2O — CID 162753594

IUPAC7-bromo-6-fluoro-1-methyl-3,4-dihydroquinoxalin-2-one
SMILESCN1C(=O)CNc2cc(F)c(Br)cc21
InChIInChI=1S/C9H8BrFN2O/c1-13-8-2-5(10)6(11)3-7(8)12-4-9(13)14/h2-3,12H,4H2,1H3
InChIKeyAIQDMBXZVBYSEU-UHFFFAOYSA-N
MW259.08 g/mol
LogP1.98
Rot. Bonds

About 7-bromo-6-fluoro-1-methyl-3,4-dihydroquinoxalin-2-one

7-bromo-6-fluoro-1-methyl-3,4-dihydroquinoxalin-2-one (PubChem CID 162753594) has the molecular formula C9H8BrFN2O and a molecular weight of 259.08 g/mol. Its IUPAC name is 7-bromo-6-fluoro-1-methyl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name7-bromo-6-fluoro-1-methyl-3,4-dihydroquinoxalin-2-one
PubChem CID162753594
Molecular FormulaC9H8BrFN2O
Molecular Weight259.08 g/mol
Exact Mass257.98
IUPAC Name7-bromo-6-fluoro-1-methyl-3,4-dihydroquinoxalin-2-one
SMILESCN1C(=O)CNc2cc(F)c(Br)cc21
InChIInChI=1S/C9H8BrFN2O/c1-13-8-2-5(10)6(11)3-7(8)12-4-9(13)14/h2-3,12H,4H2,1H3
InChIKeyAIQDMBXZVBYSEU-UHFFFAOYSA-N
XLogP1.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.08
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-1-methyl-3,4-dihydroquinoxalin-2-one
CID 84619430
5-bromo-1,7-dimethyl-3,4-dihydroquinoxalin-2-one
CID 84635544
6-amino-1-methyl-3,4-dihydroquinoxalin-2-one
CID 28693613
6-bromo-7-fluoro-4-methyl-1,3-dihydroquinoxalin-2-one
CID 82380299
7-bromo-8-fluoro-5-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 83825733
1-(5-bromo-4-fluoro-2-methylphenyl)-1,4-diazepane-2,5-dione
CID 107594341
1-(5-bromo-2,4-difluorophenyl)imidazolidin-2-one
CID 102855679
methyl 4-methyl-3-oxo-1,2-dihydroquinoxaline-6-carboxylate
CID 91671836
1-(4-bromo-2,5-difluorophenyl)-6-propan-2-ylpiperazine-2,5-dione
CID 107608195
7-bromo-8-fluoro-5-(4-methylphenyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 116739781
2-(6,7-difluoro-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-methylacetamide
CID 82157627
1-(5-bromo-4-fluoro-2-methylphenyl)-1,3-diazinan-2-one
CID 107590497

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-fluoro-1-methyl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 7-bromo-6-fluoro-1-methyl-3,4-dihydroquinoxalin-2-one (CID 162753594) is 7-bromo-6-fluoro-1-methyl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 7-bromo-6-fluoro-1-methyl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 7-bromo-6-fluoro-1-methyl-3,4-dihydroquinoxalin-2-one is CN1C(=O)CNc2cc(F)c(Br)cc21.
What is the InChIKey of 7-bromo-6-fluoro-1-methyl-3,4-dihydroquinoxalin-2-one?
The InChIKey is AIQDMBXZVBYSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFN2O/c1-13-8-2-5(10)6(11)3-7(8)12-4-9(13)14/h2-3,12H,4H2,1H3.
What are the key properties of 7-bromo-6-fluoro-1-methyl-3,4-dihydroquinoxalin-2-one?
7-bromo-6-fluoro-1-methyl-3,4-dihydroquinoxalin-2-one has a molecular weight of 259.08 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-fluoro-1-methyl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 162753594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).