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

C9H9BrN2O — CID 84629915

IUPAC7-bromo-1-methyl-3,4-dihydroquinoxalin-2-one
SMILESCN1C(=O)CNc2ccc(Br)cc21
InChIInChI=1S/C9H9BrN2O/c1-12-8-4-6(10)2-3-7(8)11-5-9(12)13/h2-4,11H,5H2,1H3
InChIKeyIGSLUAVKYIONOZ-UHFFFAOYSA-N
MW241.09 g/mol
LogP1.84
Rot. Bonds

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

7-bromo-1-methyl-3,4-dihydroquinoxalin-2-one (PubChem CID 84629915) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is 7-bromo-1-methyl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name7-bromo-1-methyl-3,4-dihydroquinoxalin-2-one
PubChem CID84629915
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name7-bromo-1-methyl-3,4-dihydroquinoxalin-2-one
SMILESCN1C(=O)CNc2ccc(Br)cc21
InChIInChI=1S/C9H9BrN2O/c1-12-8-4-6(10)2-3-7(8)11-5-9(12)13/h2-4,11H,5H2,1H3
InChIKeyIGSLUAVKYIONOZ-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 7-bromo-1-methyl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 7-bromo-1-methyl-3,4-dihydroquinoxalin-2-one (CID 84629915) is 7-bromo-1-methyl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 7-bromo-1-methyl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 7-bromo-1-methyl-3,4-dihydroquinoxalin-2-one is CN1C(=O)CNc2ccc(Br)cc21.
What is the InChIKey of 7-bromo-1-methyl-3,4-dihydroquinoxalin-2-one?
The InChIKey is IGSLUAVKYIONOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c1-12-8-4-6(10)2-3-7(8)11-5-9(12)13/h2-4,11H,5H2,1H3.
What are the key properties of 7-bromo-1-methyl-3,4-dihydroquinoxalin-2-one?
7-bromo-1-methyl-3,4-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 7-bromo-1-methyl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 84629915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).