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

C9H9BrN2O — CID 22667740

IUPAC6-bromo-4-methyl-1,3-dihydroquinoxalin-2-one
SMILESCN1CC(=O)Nc2ccc(Br)cc21
InChIInChI=1S/C9H9BrN2O/c1-12-5-9(13)11-7-3-2-6(10)4-8(7)12/h2-4H,5H2,1H3,(H,11,13)
InChIKeyPEBBLUUDVVUJSY-UHFFFAOYSA-N
MW241.09 g/mol
LogP1.84
Rot. Bonds

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

6-bromo-4-methyl-1,3-dihydroquinoxalin-2-one (PubChem CID 22667740) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is 6-bromo-4-methyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name6-bromo-4-methyl-1,3-dihydroquinoxalin-2-one
PubChem CID22667740
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name6-bromo-4-methyl-1,3-dihydroquinoxalin-2-one
SMILESCN1CC(=O)Nc2ccc(Br)cc21
InChIInChI=1S/C9H9BrN2O/c1-12-5-9(13)11-7-3-2-6(10)4-8(7)12/h2-4H,5H2,1H3,(H,11,13)
InChIKeyPEBBLUUDVVUJSY-UHFFFAOYSA-N
XLogP1.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 6-bromo-4-methyl-1,3-dihydroquinoxalin-2-one (CID 22667740) is 6-bromo-4-methyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 6-bromo-4-methyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 6-bromo-4-methyl-1,3-dihydroquinoxalin-2-one is CN1CC(=O)Nc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-4-methyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is PEBBLUUDVVUJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c1-12-5-9(13)11-7-3-2-6(10)4-8(7)12/h2-4H,5H2,1H3,(H,11,13).
What are the key properties of 6-bromo-4-methyl-1,3-dihydroquinoxalin-2-one?
6-bromo-4-methyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 241.09 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-methyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 22667740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).