9-bromoacenaphthyleno[1,2-b]quinoxaline

C18H9BrN2 — CID 56957750

IUPAC9-bromoacenaphthyleno[1,2-b]quinoxaline
SMILESBrc1ccc2nc3c(nc2c1)-c1cccc2cccc-3c12
InChIInChI=1S/C18H9BrN2/c19-11-7-8-14-15(9-11)21-18-13-6-2-4-10-3-1-5-12(16(10)13)17(18)20-14/h1-9H
InChIKeyHLDCVPQZIJOJBI-UHFFFAOYSA-N
MW333.19 g/mol
LogP5.19
Rot. Bonds

About 9-bromoacenaphthyleno[1,2-b]quinoxaline

9-bromoacenaphthyleno[1,2-b]quinoxaline (PubChem CID 56957750) has the molecular formula C18H9BrN2 and a molecular weight of 333.19 g/mol. Its IUPAC name is 9-bromoacenaphthyleno[1,2-b]quinoxaline.

Molecular Properties

Compound Name9-bromoacenaphthyleno[1,2-b]quinoxaline
PubChem CID56957750
Molecular FormulaC18H9BrN2
Molecular Weight333.19 g/mol
Exact Mass331.99
IUPAC Name9-bromoacenaphthyleno[1,2-b]quinoxaline
SMILESBrc1ccc2nc3c(nc2c1)-c1cccc2cccc-3c12
InChIInChI=1S/C18H9BrN2/c19-11-7-8-14-15(9-11)21-18-13-6-2-4-10-3-1-5-12(16(10)13)17(18)20-14/h1-9H
InChIKeyHLDCVPQZIJOJBI-UHFFFAOYSA-N
XLogP5.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.19
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-bromoacenaphthyleno[1,2-b]quinoxaline 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 9-bromoacenaphthyleno[1,2-b]quinoxaline?
The IUPAC name of 9-bromoacenaphthyleno[1,2-b]quinoxaline (CID 56957750) is 9-bromoacenaphthyleno[1,2-b]quinoxaline.
What is the SMILES notation for 9-bromoacenaphthyleno[1,2-b]quinoxaline?
The canonical SMILES for 9-bromoacenaphthyleno[1,2-b]quinoxaline is Brc1ccc2nc3c(nc2c1)-c1cccc2cccc-3c12.
What is the InChIKey of 9-bromoacenaphthyleno[1,2-b]quinoxaline?
The InChIKey is HLDCVPQZIJOJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9BrN2/c19-11-7-8-14-15(9-11)21-18-13-6-2-4-10-3-1-5-12(16(10)13)17(18)20-14/h1-9H.
What are the key properties of 9-bromoacenaphthyleno[1,2-b]quinoxaline?
9-bromoacenaphthyleno[1,2-b]quinoxaline has a molecular weight of 333.19 g/mol, XLogP of 5.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromoacenaphthyleno[1,2-b]quinoxaline is sourced from PubChem (CID 56957750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).