5,7-dibromo-1,4-dihydroquinoxaline-2,3-dione

C8H4Br2N2O2 — CID 10591750

IUPAC5,7-dibromo-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(Br)cc(Br)c2[nH]c1=O
InChIInChI=1S/C8H4Br2N2O2/c9-3-1-4(10)6-5(2-3)11-7(13)8(14)12-6/h1-2H,(H,11,13)(H,12,14)
InChIKeyKAMOVQVEAFPAHG-UHFFFAOYSA-N
MW319.94 g/mol
LogP1.74
Rot. Bonds

About 5,7-dibromo-1,4-dihydroquinoxaline-2,3-dione

5,7-dibromo-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 10591750) has the molecular formula C8H4Br2N2O2 and a molecular weight of 319.94 g/mol. Its IUPAC name is 5,7-dibromo-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name5,7-dibromo-1,4-dihydroquinoxaline-2,3-dione
PubChem CID10591750
Molecular FormulaC8H4Br2N2O2
Molecular Weight319.94 g/mol
Exact Mass317.86
IUPAC Name5,7-dibromo-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(Br)cc(Br)c2[nH]c1=O
InChIInChI=1S/C8H4Br2N2O2/c9-3-1-4(10)6-5(2-3)11-7(13)8(14)12-6/h1-2H,(H,11,13)(H,12,14)
InChIKeyKAMOVQVEAFPAHG-UHFFFAOYSA-N
XLogP1.74
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.94
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 5,7-dibromo-1,4-dihydroquinoxaline-2,3-dione 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 5,7-dibromo-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 5,7-dibromo-1,4-dihydroquinoxaline-2,3-dione (CID 10591750) is 5,7-dibromo-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 5,7-dibromo-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 5,7-dibromo-1,4-dihydroquinoxaline-2,3-dione is O=c1[nH]c2cc(Br)cc(Br)c2[nH]c1=O.
What is the InChIKey of 5,7-dibromo-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is KAMOVQVEAFPAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2N2O2/c9-3-1-4(10)6-5(2-3)11-7(13)8(14)12-6/h1-2H,(H,11,13)(H,12,14).
What are the key properties of 5,7-dibromo-1,4-dihydroquinoxaline-2,3-dione?
5,7-dibromo-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 319.94 g/mol, XLogP of 1.74, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dibromo-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 10591750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).