6,7-dibromo-1H-quinoxalin-2-one

C8H4Br2N2O — CID 14423644

IUPAC6,7-dibromo-1H-quinoxalin-2-one
SMILESO=c1cnc2cc(Br)c(Br)cc2[nH]1
InChIInChI=1S/C8H4Br2N2O/c9-4-1-6-7(2-5(4)10)12-8(13)3-11-6/h1-3H,(H,12,13)
InChIKeyZMQUHZGMULKJKD-UHFFFAOYSA-N
MW303.94 g/mol
LogP2.45
Rot. Bonds

About 6,7-dibromo-1H-quinoxalin-2-one

6,7-dibromo-1H-quinoxalin-2-one (PubChem CID 14423644) has the molecular formula C8H4Br2N2O and a molecular weight of 303.94 g/mol. Its IUPAC name is 6,7-dibromo-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6,7-dibromo-1H-quinoxalin-2-one
PubChem CID14423644
Molecular FormulaC8H4Br2N2O
Molecular Weight303.94 g/mol
Exact Mass301.87
IUPAC Name6,7-dibromo-1H-quinoxalin-2-one
SMILESO=c1cnc2cc(Br)c(Br)cc2[nH]1
InChIInChI=1S/C8H4Br2N2O/c9-4-1-6-7(2-5(4)10)12-8(13)3-11-6/h1-3H,(H,12,13)
InChIKeyZMQUHZGMULKJKD-UHFFFAOYSA-N
XLogP2.45
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.94
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dibromo-1H-quinoxalin-2-one?
The IUPAC name of 6,7-dibromo-1H-quinoxalin-2-one (CID 14423644) is 6,7-dibromo-1H-quinoxalin-2-one.
What is the SMILES notation for 6,7-dibromo-1H-quinoxalin-2-one?
The canonical SMILES for 6,7-dibromo-1H-quinoxalin-2-one is O=c1cnc2cc(Br)c(Br)cc2[nH]1.
What is the InChIKey of 6,7-dibromo-1H-quinoxalin-2-one?
The InChIKey is ZMQUHZGMULKJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2N2O/c9-4-1-6-7(2-5(4)10)12-8(13)3-11-6/h1-3H,(H,12,13).
What are the key properties of 6,7-dibromo-1H-quinoxalin-2-one?
6,7-dibromo-1H-quinoxalin-2-one has a molecular weight of 303.94 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dibromo-1H-quinoxalin-2-one is sourced from PubChem (CID 14423644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).