3-(furan-2-ylmethyl)-2-phenylimidazo[4,5-b]quinoxaline

C20H14N4O — CID 661942

IUPAC3-(furan-2-ylmethyl)-2-phenylimidazo[4,5-b]quinoxaline
SMILESc1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccco2)cc1
InChIInChI=1S/C20H14N4O/c1-2-7-14(8-3-1)19-23-18-20(24(19)13-15-9-6-12-25-15)22-17-11-5-4-10-16(17)21-18/h1-12H,13H2
InChIKeyCAHGAIITDRJNTB-UHFFFAOYSA-N
MW326.36 g/mol
LogP4.29
Rot. Bonds3

About 3-(furan-2-ylmethyl)-2-phenylimidazo[4,5-b]quinoxaline

3-(furan-2-ylmethyl)-2-phenylimidazo[4,5-b]quinoxaline (PubChem CID 661942) has the molecular formula C20H14N4O and a molecular weight of 326.36 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-2-phenylimidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-2-phenylimidazo[4,5-b]quinoxaline
PubChem CID661942
Molecular FormulaC20H14N4O
Molecular Weight326.36 g/mol
Exact Mass326.12
IUPAC Name3-(furan-2-ylmethyl)-2-phenylimidazo[4,5-b]quinoxaline
SMILESc1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccco2)cc1
InChIInChI=1S/C20H14N4O/c1-2-7-14(8-3-1)19-23-18-20(24(19)13-15-9-6-12-25-15)22-17-11-5-4-10-16(17)21-18/h1-12H,13H2
InChIKeyCAHGAIITDRJNTB-UHFFFAOYSA-N
XLogP4.29
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(furan-2-ylmethyl)-2-phenylimidazo[4,5-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 3-(furan-2-ylmethyl)-2-phenylimidazo[4,5-b]quinoxaline?
The IUPAC name of 3-(furan-2-ylmethyl)-2-phenylimidazo[4,5-b]quinoxaline (CID 661942) is 3-(furan-2-ylmethyl)-2-phenylimidazo[4,5-b]quinoxaline.
What is the SMILES notation for 3-(furan-2-ylmethyl)-2-phenylimidazo[4,5-b]quinoxaline?
The canonical SMILES for 3-(furan-2-ylmethyl)-2-phenylimidazo[4,5-b]quinoxaline is c1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccco2)cc1.
What is the InChIKey of 3-(furan-2-ylmethyl)-2-phenylimidazo[4,5-b]quinoxaline?
The InChIKey is CAHGAIITDRJNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O/c1-2-7-14(8-3-1)19-23-18-20(24(19)13-15-9-6-12-25-15)22-17-11-5-4-10-16(17)21-18/h1-12H,13H2.
What are the key properties of 3-(furan-2-ylmethyl)-2-phenylimidazo[4,5-b]quinoxaline?
3-(furan-2-ylmethyl)-2-phenylimidazo[4,5-b]quinoxaline has a molecular weight of 326.36 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-2-phenylimidazo[4,5-b]quinoxaline is sourced from PubChem (CID 661942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).