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

C9H8BrFN2O — CID 82380299

IUPAC6-bromo-7-fluoro-4-methyl-1,3-dihydroquinoxalin-2-one
SMILESCN1CC(=O)Nc2cc(F)c(Br)cc21
InChIInChI=1S/C9H8BrFN2O/c1-13-4-9(14)12-7-3-6(11)5(10)2-8(7)13/h2-3H,4H2,1H3,(H,12,14)
InChIKeyMBXAPJMFTDEELY-UHFFFAOYSA-N
MW259.08 g/mol
LogP1.98
Rot. Bonds

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

6-bromo-7-fluoro-4-methyl-1,3-dihydroquinoxalin-2-one (PubChem CID 82380299) has the molecular formula C9H8BrFN2O and a molecular weight of 259.08 g/mol. Its IUPAC name is 6-bromo-7-fluoro-4-methyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name6-bromo-7-fluoro-4-methyl-1,3-dihydroquinoxalin-2-one
PubChem CID82380299
Molecular FormulaC9H8BrFN2O
Molecular Weight259.08 g/mol
Exact Mass257.98
IUPAC Name6-bromo-7-fluoro-4-methyl-1,3-dihydroquinoxalin-2-one
SMILESCN1CC(=O)Nc2cc(F)c(Br)cc21
InChIInChI=1S/C9H8BrFN2O/c1-13-4-9(14)12-7-3-6(11)5(10)2-8(7)13/h2-3H,4H2,1H3,(H,12,14)
InChIKeyMBXAPJMFTDEELY-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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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-fluoro-4-methyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 6-bromo-7-fluoro-4-methyl-1,3-dihydroquinoxalin-2-one (CID 82380299) is 6-bromo-7-fluoro-4-methyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 6-bromo-7-fluoro-4-methyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 6-bromo-7-fluoro-4-methyl-1,3-dihydroquinoxalin-2-one is CN1CC(=O)Nc2cc(F)c(Br)cc21.
What is the InChIKey of 6-bromo-7-fluoro-4-methyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is MBXAPJMFTDEELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFN2O/c1-13-4-9(14)12-7-3-6(11)5(10)2-8(7)13/h2-3H,4H2,1H3,(H,12,14).
What are the key properties of 6-bromo-7-fluoro-4-methyl-1,3-dihydroquinoxalin-2-one?
6-bromo-7-fluoro-4-methyl-1,3-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 6-bromo-7-fluoro-4-methyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 82380299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).