6-bromo-3-methyl-1H-quinoxalin-2-one

C9H7BrN2O — CID 11630070

IUPAC6-bromo-3-methyl-1H-quinoxalin-2-one
SMILESCc1nc2cc(Br)ccc2[nH]c1=O
InChIInChI=1S/C9H7BrN2O/c1-5-9(13)12-7-3-2-6(10)4-8(7)11-5/h2-4H,1H3,(H,12,13)
InChIKeyCDCJBVBBXZSTRF-UHFFFAOYSA-N
MW239.07 g/mol
LogP1.99
Rot. Bonds

About 6-bromo-3-methyl-1H-quinoxalin-2-one

6-bromo-3-methyl-1H-quinoxalin-2-one (PubChem CID 11630070) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is 6-bromo-3-methyl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6-bromo-3-methyl-1H-quinoxalin-2-one
PubChem CID11630070
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC Name6-bromo-3-methyl-1H-quinoxalin-2-one
SMILESCc1nc2cc(Br)ccc2[nH]c1=O
InChIInChI=1S/C9H7BrN2O/c1-5-9(13)12-7-3-2-6(10)4-8(7)11-5/h2-4H,1H3,(H,12,13)
InChIKeyCDCJBVBBXZSTRF-UHFFFAOYSA-N
XLogP1.99
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methyl-1H-quinoxalin-2-one?
The IUPAC name of 6-bromo-3-methyl-1H-quinoxalin-2-one (CID 11630070) is 6-bromo-3-methyl-1H-quinoxalin-2-one.
What is the SMILES notation for 6-bromo-3-methyl-1H-quinoxalin-2-one?
The canonical SMILES for 6-bromo-3-methyl-1H-quinoxalin-2-one is Cc1nc2cc(Br)ccc2[nH]c1=O.
What is the InChIKey of 6-bromo-3-methyl-1H-quinoxalin-2-one?
The InChIKey is CDCJBVBBXZSTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c1-5-9(13)12-7-3-2-6(10)4-8(7)11-5/h2-4H,1H3,(H,12,13).
What are the key properties of 6-bromo-3-methyl-1H-quinoxalin-2-one?
6-bromo-3-methyl-1H-quinoxalin-2-one has a molecular weight of 239.07 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-methyl-1H-quinoxalin-2-one is sourced from PubChem (CID 11630070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).