2,3-bis(4-octoxyphenyl)quinoxaline

C36H46N2O2 — CID 134824397

IUPAC2,3-bis(4-octoxyphenyl)quinoxaline
SMILESCCCCCCCCOc1ccc(-c2nc3ccccc3nc2-c2ccc(OCCCCCCCC)cc2)cc1
InChIInChI=1S/C36H46N2O2/c1-3-5-7-9-11-15-27-39-31-23-19-29(20-24-31)35-36(38-34-18-14-13-17-33(34)37-35)30-21-25-32(26-22-30)40-28-16-12-10-8-6-4-2/h13-14,17-26H,3-12,15-16,27-28H2,1-2H3
InChIKeyFLDPALRHDMQIKK-UHFFFAOYSA-N
MW538.78 g/mol
LogP10.44
Rot. Bonds18

About 2,3-bis(4-octoxyphenyl)quinoxaline

2,3-bis(4-octoxyphenyl)quinoxaline (PubChem CID 134824397) has the molecular formula C36H46N2O2 and a molecular weight of 538.78 g/mol. Its IUPAC name is 2,3-bis(4-octoxyphenyl)quinoxaline.

Molecular Properties

Compound Name2,3-bis(4-octoxyphenyl)quinoxaline
PubChem CID134824397
Molecular FormulaC36H46N2O2
Molecular Weight538.78 g/mol
Exact Mass538.36
IUPAC Name2,3-bis(4-octoxyphenyl)quinoxaline
SMILESCCCCCCCCOc1ccc(-c2nc3ccccc3nc2-c2ccc(OCCCCCCCC)cc2)cc1
InChIInChI=1S/C36H46N2O2/c1-3-5-7-9-11-15-27-39-31-23-19-29(20-24-31)35-36(38-34-18-14-13-17-33(34)37-35)30-21-25-32(26-22-30)40-28-16-12-10-8-6-4-2/h13-14,17-26H,3-12,15-16,27-28H2,1-2H3
InChIKeyFLDPALRHDMQIKK-UHFFFAOYSA-N
XLogP10.44
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.78
LogP ≤ 510.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,3-bis(4-octoxyphenyl)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 2,3-bis(4-octoxyphenyl)quinoxaline?
The IUPAC name of 2,3-bis(4-octoxyphenyl)quinoxaline (CID 134824397) is 2,3-bis(4-octoxyphenyl)quinoxaline.
What is the SMILES notation for 2,3-bis(4-octoxyphenyl)quinoxaline?
The canonical SMILES for 2,3-bis(4-octoxyphenyl)quinoxaline is CCCCCCCCOc1ccc(-c2nc3ccccc3nc2-c2ccc(OCCCCCCCC)cc2)cc1.
What is the InChIKey of 2,3-bis(4-octoxyphenyl)quinoxaline?
The InChIKey is FLDPALRHDMQIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H46N2O2/c1-3-5-7-9-11-15-27-39-31-23-19-29(20-24-31)35-36(38-34-18-14-13-17-33(34)37-35)30-21-25-32(26-22-30)40-28-16-12-10-8-6-4-2/h13-14,17-26H,3-12,15-16,27-28H2,1-2H3.
What are the key properties of 2,3-bis(4-octoxyphenyl)quinoxaline?
2,3-bis(4-octoxyphenyl)quinoxaline has a molecular weight of 538.78 g/mol, XLogP of 10.44, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-octoxyphenyl)quinoxaline is sourced from PubChem (CID 134824397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).