4-(2-bromophenyl)-2,3-dihydro-1H-quinoxaline

C14H13BrN2 — CID 117006767

IUPAC4-(2-bromophenyl)-2,3-dihydro-1H-quinoxaline
SMILESBrc1ccccc1N1CCNc2ccccc21
InChIInChI=1S/C14H13BrN2/c15-11-5-1-3-7-13(11)17-10-9-16-12-6-2-4-8-14(12)17/h1-8,16H,9-10H2
InChIKeyUDMRFDRHGINVBS-UHFFFAOYSA-N
MW289.18 g/mol
LogP4.01
Rot. Bonds1

About 4-(2-bromophenyl)-2,3-dihydro-1H-quinoxaline

4-(2-bromophenyl)-2,3-dihydro-1H-quinoxaline (PubChem CID 117006767) has the molecular formula C14H13BrN2 and a molecular weight of 289.18 g/mol. Its IUPAC name is 4-(2-bromophenyl)-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name4-(2-bromophenyl)-2,3-dihydro-1H-quinoxaline
PubChem CID117006767
Molecular FormulaC14H13BrN2
Molecular Weight289.18 g/mol
Exact Mass288.03
IUPAC Name4-(2-bromophenyl)-2,3-dihydro-1H-quinoxaline
SMILESBrc1ccccc1N1CCNc2ccccc21
InChIInChI=1S/C14H13BrN2/c15-11-5-1-3-7-13(11)17-10-9-16-12-6-2-4-8-14(12)17/h1-8,16H,9-10H2
InChIKeyUDMRFDRHGINVBS-UHFFFAOYSA-N
XLogP4.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2-bromophenyl)-2,3-dihydro-1H-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 4-(2-bromophenyl)-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 4-(2-bromophenyl)-2,3-dihydro-1H-quinoxaline (CID 117006767) is 4-(2-bromophenyl)-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 4-(2-bromophenyl)-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 4-(2-bromophenyl)-2,3-dihydro-1H-quinoxaline is Brc1ccccc1N1CCNc2ccccc21.
What is the InChIKey of 4-(2-bromophenyl)-2,3-dihydro-1H-quinoxaline?
The InChIKey is UDMRFDRHGINVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2/c15-11-5-1-3-7-13(11)17-10-9-16-12-6-2-4-8-14(12)17/h1-8,16H,9-10H2.
What are the key properties of 4-(2-bromophenyl)-2,3-dihydro-1H-quinoxaline?
4-(2-bromophenyl)-2,3-dihydro-1H-quinoxaline has a molecular weight of 289.18 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 117006767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).