8-bromo-3-methyl-3,4-dihydro-1H-quinoxalin-2-one

C9H9BrN2O — CID 71295703

IUPAC8-bromo-3-methyl-3,4-dihydro-1H-quinoxalin-2-one
SMILESCC1Nc2cccc(Br)c2NC1=O
InChIInChI=1S/C9H9BrN2O/c1-5-9(13)12-8-6(10)3-2-4-7(8)11-5/h2-5,11H,1H3,(H,12,13)
InChIKeyOBPXVNHZIRSPCL-UHFFFAOYSA-N
MW241.09 g/mol
LogP2.20
Rot. Bonds

About 8-bromo-3-methyl-3,4-dihydro-1H-quinoxalin-2-one

8-bromo-3-methyl-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 71295703) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is 8-bromo-3-methyl-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name8-bromo-3-methyl-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID71295703
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name8-bromo-3-methyl-3,4-dihydro-1H-quinoxalin-2-one
SMILESCC1Nc2cccc(Br)c2NC1=O
InChIInChI=1S/C9H9BrN2O/c1-5-9(13)12-8-6(10)3-2-4-7(8)11-5/h2-5,11H,1H3,(H,12,13)
InChIKeyOBPXVNHZIRSPCL-UHFFFAOYSA-N
XLogP2.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-methyl-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 8-bromo-3-methyl-3,4-dihydro-1H-quinoxalin-2-one (CID 71295703) is 8-bromo-3-methyl-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 8-bromo-3-methyl-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 8-bromo-3-methyl-3,4-dihydro-1H-quinoxalin-2-one is CC1Nc2cccc(Br)c2NC1=O.
What is the InChIKey of 8-bromo-3-methyl-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is OBPXVNHZIRSPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c1-5-9(13)12-8-6(10)3-2-4-7(8)11-5/h2-5,11H,1H3,(H,12,13).
What are the key properties of 8-bromo-3-methyl-3,4-dihydro-1H-quinoxalin-2-one?
8-bromo-3-methyl-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 241.09 g/mol, XLogP of 2.20, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-methyl-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 71295703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).