7-bromo-3-ethyl-8-fluoro-3H-quinoxalin-2-one

C10H8BrFN2O — CID 178188722

IUPAC7-bromo-3-ethyl-8-fluoro-3H-quinoxalin-2-one
SMILESCCC1N=c2ccc(Br)c(F)c2=NC1=O
InChIInChI=1S/C10H8BrFN2O/c1-2-6-10(15)14-9-7(13-6)4-3-5(11)8(9)12/h3-4,6H,2H2,1H3
InChIKeyXEHUUCVOKRTMCQ-UHFFFAOYSA-N
MW271.09 g/mol
LogP1.15
Rot. Bonds1

About 7-bromo-3-ethyl-8-fluoro-3H-quinoxalin-2-one

7-bromo-3-ethyl-8-fluoro-3H-quinoxalin-2-one (PubChem CID 178188722) has the molecular formula C10H8BrFN2O and a molecular weight of 271.09 g/mol. Its IUPAC name is 7-bromo-3-ethyl-8-fluoro-3H-quinoxalin-2-one.

Molecular Properties

Compound Name7-bromo-3-ethyl-8-fluoro-3H-quinoxalin-2-one
PubChem CID178188722
Molecular FormulaC10H8BrFN2O
Molecular Weight271.09 g/mol
Exact Mass269.98
IUPAC Name7-bromo-3-ethyl-8-fluoro-3H-quinoxalin-2-one
SMILESCCC1N=c2ccc(Br)c(F)c2=NC1=O
InChIInChI=1S/C10H8BrFN2O/c1-2-6-10(15)14-9-7(13-6)4-3-5(11)8(9)12/h3-4,6H,2H2,1H3
InChIKeyXEHUUCVOKRTMCQ-UHFFFAOYSA-N
XLogP1.15
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.09
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-ethyl-8-fluoro-3H-quinoxalin-2-one?
The IUPAC name of 7-bromo-3-ethyl-8-fluoro-3H-quinoxalin-2-one (CID 178188722) is 7-bromo-3-ethyl-8-fluoro-3H-quinoxalin-2-one.
What is the SMILES notation for 7-bromo-3-ethyl-8-fluoro-3H-quinoxalin-2-one?
The canonical SMILES for 7-bromo-3-ethyl-8-fluoro-3H-quinoxalin-2-one is CCC1N=c2ccc(Br)c(F)c2=NC1=O.
What is the InChIKey of 7-bromo-3-ethyl-8-fluoro-3H-quinoxalin-2-one?
The InChIKey is XEHUUCVOKRTMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2O/c1-2-6-10(15)14-9-7(13-6)4-3-5(11)8(9)12/h3-4,6H,2H2,1H3.
What are the key properties of 7-bromo-3-ethyl-8-fluoro-3H-quinoxalin-2-one?
7-bromo-3-ethyl-8-fluoro-3H-quinoxalin-2-one has a molecular weight of 271.09 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-ethyl-8-fluoro-3H-quinoxalin-2-one is sourced from PubChem (CID 178188722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).