7-bromo-5-methoxy-3-methyl-1H-quinoxalin-2-one

C10H9BrN2O2 — CID 71295705

IUPAC7-bromo-5-methoxy-3-methyl-1H-quinoxalin-2-one
SMILESCOc1cc(Br)cc2[nH]c(=O)c(C)nc12
InChIInChI=1S/C10H9BrN2O2/c1-5-10(14)13-7-3-6(11)4-8(15-2)9(7)12-5/h3-4H,1-2H3,(H,13,14)
InChIKeyZEXHKCNCBLXSAA-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.00
Rot. Bonds1

About 7-bromo-5-methoxy-3-methyl-1H-quinoxalin-2-one

7-bromo-5-methoxy-3-methyl-1H-quinoxalin-2-one (PubChem CID 71295705) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 7-bromo-5-methoxy-3-methyl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-bromo-5-methoxy-3-methyl-1H-quinoxalin-2-one
PubChem CID71295705
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name7-bromo-5-methoxy-3-methyl-1H-quinoxalin-2-one
SMILESCOc1cc(Br)cc2[nH]c(=O)c(C)nc12
InChIInChI=1S/C10H9BrN2O2/c1-5-10(14)13-7-3-6(11)4-8(15-2)9(7)12-5/h3-4H,1-2H3,(H,13,14)
InChIKeyZEXHKCNCBLXSAA-UHFFFAOYSA-N
XLogP2.00
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-bromo-5-methoxy-3-methyl-1H-quinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-methoxy-3-methyl-1H-quinoxalin-2-one?
The IUPAC name of 7-bromo-5-methoxy-3-methyl-1H-quinoxalin-2-one (CID 71295705) is 7-bromo-5-methoxy-3-methyl-1H-quinoxalin-2-one.
What is the SMILES notation for 7-bromo-5-methoxy-3-methyl-1H-quinoxalin-2-one?
The canonical SMILES for 7-bromo-5-methoxy-3-methyl-1H-quinoxalin-2-one is COc1cc(Br)cc2[nH]c(=O)c(C)nc12.
What is the InChIKey of 7-bromo-5-methoxy-3-methyl-1H-quinoxalin-2-one?
The InChIKey is ZEXHKCNCBLXSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-5-10(14)13-7-3-6(11)4-8(15-2)9(7)12-5/h3-4H,1-2H3,(H,13,14).
What are the key properties of 7-bromo-5-methoxy-3-methyl-1H-quinoxalin-2-one?
7-bromo-5-methoxy-3-methyl-1H-quinoxalin-2-one has a molecular weight of 269.10 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-methoxy-3-methyl-1H-quinoxalin-2-one is sourced from PubChem (CID 71295705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).