5-bromo-8-cyclopropylquinoxaline

C11H9BrN2 — CID 172993584

IUPAC5-bromo-8-cyclopropylquinoxaline
SMILESBrc1ccc(C2CC2)c2nccnc12
InChIInChI=1S/C11H9BrN2/c12-9-4-3-8(7-1-2-7)10-11(9)14-6-5-13-10/h3-7H,1-2H2
InChIKeyAKCAOODGRVETNY-UHFFFAOYSA-N
MW249.11 g/mol
LogP3.27
Rot. Bonds1

About 5-bromo-8-cyclopropylquinoxaline

5-bromo-8-cyclopropylquinoxaline (PubChem CID 172993584) has the molecular formula C11H9BrN2 and a molecular weight of 249.11 g/mol. Its IUPAC name is 5-bromo-8-cyclopropylquinoxaline.

Molecular Properties

Compound Name5-bromo-8-cyclopropylquinoxaline
PubChem CID172993584
Molecular FormulaC11H9BrN2
Molecular Weight249.11 g/mol
Exact Mass247.99
IUPAC Name5-bromo-8-cyclopropylquinoxaline
SMILESBrc1ccc(C2CC2)c2nccnc12
InChIInChI=1S/C11H9BrN2/c12-9-4-3-8(7-1-2-7)10-11(9)14-6-5-13-10/h3-7H,1-2H2
InChIKeyAKCAOODGRVETNY-UHFFFAOYSA-N
XLogP3.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.11
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-8-cyclopropylquinoxaline 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-bromo-8-cyclopropylquinoxaline?
The IUPAC name of 5-bromo-8-cyclopropylquinoxaline (CID 172993584) is 5-bromo-8-cyclopropylquinoxaline.
What is the SMILES notation for 5-bromo-8-cyclopropylquinoxaline?
The canonical SMILES for 5-bromo-8-cyclopropylquinoxaline is Brc1ccc(C2CC2)c2nccnc12.
What is the InChIKey of 5-bromo-8-cyclopropylquinoxaline?
The InChIKey is AKCAOODGRVETNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2/c12-9-4-3-8(7-1-2-7)10-11(9)14-6-5-13-10/h3-7H,1-2H2.
What are the key properties of 5-bromo-8-cyclopropylquinoxaline?
5-bromo-8-cyclopropylquinoxaline has a molecular weight of 249.11 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-cyclopropylquinoxaline is sourced from PubChem (CID 172993584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).