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

C21H16N4O — CID 662053

IUPAC3-(furan-2-ylmethyl)-2-(4-methylphenyl)imidazo[4,5-b]quinoxaline
SMILESCc1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccco2)cc1
InChIInChI=1S/C21H16N4O/c1-14-8-10-15(11-9-14)20-24-19-21(25(20)13-16-5-4-12-26-16)23-18-7-3-2-6-17(18)22-19/h2-12H,13H2,1H3
InChIKeyMDFGBLBCMOXAMG-UHFFFAOYSA-N
MW340.39 g/mol
LogP4.60
Rot. Bonds3

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

3-(furan-2-ylmethyl)-2-(4-methylphenyl)imidazo[4,5-b]quinoxaline (PubChem CID 662053) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-2-(4-methylphenyl)imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-2-(4-methylphenyl)imidazo[4,5-b]quinoxaline
PubChem CID662053
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC Name3-(furan-2-ylmethyl)-2-(4-methylphenyl)imidazo[4,5-b]quinoxaline
SMILESCc1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccco2)cc1
InChIInChI=1S/C21H16N4O/c1-14-8-10-15(11-9-14)20-24-19-21(25(20)13-16-5-4-12-26-16)23-18-7-3-2-6-17(18)22-19/h2-12H,13H2,1H3
InChIKeyMDFGBLBCMOXAMG-UHFFFAOYSA-N
XLogP4.60
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-2-(4-methylphenyl)imidazo[4,5-b]quinoxaline?
The IUPAC name of 3-(furan-2-ylmethyl)-2-(4-methylphenyl)imidazo[4,5-b]quinoxaline (CID 662053) is 3-(furan-2-ylmethyl)-2-(4-methylphenyl)imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 3-(furan-2-ylmethyl)-2-(4-methylphenyl)imidazo[4,5-b]quinoxaline?
The canonical SMILES for 3-(furan-2-ylmethyl)-2-(4-methylphenyl)imidazo[4,5-b]quinoxaline is Cc1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccco2)cc1.
What is the InChIKey of 3-(furan-2-ylmethyl)-2-(4-methylphenyl)imidazo[4,5-b]quinoxaline?
The InChIKey is MDFGBLBCMOXAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O/c1-14-8-10-15(11-9-14)20-24-19-21(25(20)13-16-5-4-12-26-16)23-18-7-3-2-6-17(18)22-19/h2-12H,13H2,1H3.
What are the key properties of 3-(furan-2-ylmethyl)-2-(4-methylphenyl)imidazo[4,5-b]quinoxaline?
3-(furan-2-ylmethyl)-2-(4-methylphenyl)imidazo[4,5-b]quinoxaline has a molecular weight of 340.39 g/mol, XLogP of 4.60, 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-(4-methylphenyl)imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 662053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).