3-(4-bromophenyl)benzo[g]quinoxaline

C18H11BrN2 — CID 5273858

IUPAC3-(4-bromophenyl)benzo[g]quinoxaline
SMILESBrc1ccc(-c2cnc3cc4ccccc4cc3n2)cc1
InChIInChI=1S/C18H11BrN2/c19-15-7-5-12(6-8-15)18-11-20-16-9-13-3-1-2-4-14(13)10-17(16)21-18/h1-11H
InChIKeyGUAJGUDVSJMBCZ-UHFFFAOYSA-N
MW335.20 g/mol
LogP5.21
Rot. Bonds1

About 3-(4-bromophenyl)benzo[g]quinoxaline

3-(4-bromophenyl)benzo[g]quinoxaline (PubChem CID 5273858) has the molecular formula C18H11BrN2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 3-(4-bromophenyl)benzo[g]quinoxaline.

Molecular Properties

Compound Name3-(4-bromophenyl)benzo[g]quinoxaline
PubChem CID5273858
Molecular FormulaC18H11BrN2
Molecular Weight335.20 g/mol
Exact Mass334.01
IUPAC Name3-(4-bromophenyl)benzo[g]quinoxaline
SMILESBrc1ccc(-c2cnc3cc4ccccc4cc3n2)cc1
InChIInChI=1S/C18H11BrN2/c19-15-7-5-12(6-8-15)18-11-20-16-9-13-3-1-2-4-14(13)10-17(16)21-18/h1-11H
InChIKeyGUAJGUDVSJMBCZ-UHFFFAOYSA-N
XLogP5.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.20
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)benzo[g]quinoxaline?
The IUPAC name of 3-(4-bromophenyl)benzo[g]quinoxaline (CID 5273858) is 3-(4-bromophenyl)benzo[g]quinoxaline.
What is the SMILES notation for 3-(4-bromophenyl)benzo[g]quinoxaline?
The canonical SMILES for 3-(4-bromophenyl)benzo[g]quinoxaline is Brc1ccc(-c2cnc3cc4ccccc4cc3n2)cc1.
What is the InChIKey of 3-(4-bromophenyl)benzo[g]quinoxaline?
The InChIKey is GUAJGUDVSJMBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrN2/c19-15-7-5-12(6-8-15)18-11-20-16-9-13-3-1-2-4-14(13)10-17(16)21-18/h1-11H.
What are the key properties of 3-(4-bromophenyl)benzo[g]quinoxaline?
3-(4-bromophenyl)benzo[g]quinoxaline has a molecular weight of 335.20 g/mol, XLogP of 5.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)benzo[g]quinoxaline is sourced from PubChem (CID 5273858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).