5,8-dibromo-2,3-diethylquinoxaline

C12H12Br2N2 — CID 68642538

IUPAC5,8-dibromo-2,3-diethylquinoxaline
SMILESCCc1nc2c(Br)ccc(Br)c2nc1CC
InChIInChI=1S/C12H12Br2N2/c1-3-9-10(4-2)16-12-8(14)6-5-7(13)11(12)15-9/h5-6H,3-4H2,1-2H3
InChIKeySXPVFRWOXOCNCK-UHFFFAOYSA-N
MW344.05 g/mol
LogP4.28
Rot. Bonds2

About 5,8-dibromo-2,3-diethylquinoxaline

5,8-dibromo-2,3-diethylquinoxaline (PubChem CID 68642538) has the molecular formula C12H12Br2N2 and a molecular weight of 344.05 g/mol. Its IUPAC name is 5,8-dibromo-2,3-diethylquinoxaline.

Molecular Properties

Compound Name5,8-dibromo-2,3-diethylquinoxaline
PubChem CID68642538
Molecular FormulaC12H12Br2N2
Molecular Weight344.05 g/mol
Exact Mass341.94
IUPAC Name5,8-dibromo-2,3-diethylquinoxaline
SMILESCCc1nc2c(Br)ccc(Br)c2nc1CC
InChIInChI=1S/C12H12Br2N2/c1-3-9-10(4-2)16-12-8(14)6-5-7(13)11(12)15-9/h5-6H,3-4H2,1-2H3
InChIKeySXPVFRWOXOCNCK-UHFFFAOYSA-N
XLogP4.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.05
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,8-dibromo-2,3-diethylquinoxaline 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 5,8-dibromo-2,3-diethylquinoxaline?
The IUPAC name of 5,8-dibromo-2,3-diethylquinoxaline (CID 68642538) is 5,8-dibromo-2,3-diethylquinoxaline.
What is the SMILES notation for 5,8-dibromo-2,3-diethylquinoxaline?
The canonical SMILES for 5,8-dibromo-2,3-diethylquinoxaline is CCc1nc2c(Br)ccc(Br)c2nc1CC.
What is the InChIKey of 5,8-dibromo-2,3-diethylquinoxaline?
The InChIKey is SXPVFRWOXOCNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2N2/c1-3-9-10(4-2)16-12-8(14)6-5-7(13)11(12)15-9/h5-6H,3-4H2,1-2H3.
What are the key properties of 5,8-dibromo-2,3-diethylquinoxaline?
5,8-dibromo-2,3-diethylquinoxaline has a molecular weight of 344.05 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dibromo-2,3-diethylquinoxaline is sourced from PubChem (CID 68642538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).