3-(4-ethylphenyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline

C21H16N4S — CID 2015262

IUPAC3-(4-ethylphenyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline
SMILESCCc1ccc(-n2c(-c3cccs3)nc3nc4ccccc4nc32)cc1
InChIInChI=1S/C21H16N4S/c1-2-14-9-11-15(12-10-14)25-20(18-8-5-13-26-18)24-19-21(25)23-17-7-4-3-6-16(17)22-19/h3-13H,2H2,1H3
InChIKeyJTUQUAJBTFSDNU-UHFFFAOYSA-N
MW356.45 g/mol
LogP5.26
Rot. Bonds3

About 3-(4-ethylphenyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline

3-(4-ethylphenyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline (PubChem CID 2015262) has the molecular formula C21H16N4S and a molecular weight of 356.45 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name3-(4-ethylphenyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline
PubChem CID2015262
Molecular FormulaC21H16N4S
Molecular Weight356.45 g/mol
Exact Mass356.11
IUPAC Name3-(4-ethylphenyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline
SMILESCCc1ccc(-n2c(-c3cccs3)nc3nc4ccccc4nc32)cc1
InChIInChI=1S/C21H16N4S/c1-2-14-9-11-15(12-10-14)25-20(18-8-5-13-26-18)24-19-21(25)23-17-7-4-3-6-16(17)22-19/h3-13H,2H2,1H3
InChIKeyJTUQUAJBTFSDNU-UHFFFAOYSA-N
XLogP5.26
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.45
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline?
The IUPAC name of 3-(4-ethylphenyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline (CID 2015262) is 3-(4-ethylphenyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline.
What is the SMILES notation for 3-(4-ethylphenyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline?
The canonical SMILES for 3-(4-ethylphenyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline is CCc1ccc(-n2c(-c3cccs3)nc3nc4ccccc4nc32)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline?
The InChIKey is JTUQUAJBTFSDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4S/c1-2-14-9-11-15(12-10-14)25-20(18-8-5-13-26-18)24-19-21(25)23-17-7-4-3-6-16(17)22-19/h3-13H,2H2,1H3.
What are the key properties of 3-(4-ethylphenyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline?
3-(4-ethylphenyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline has a molecular weight of 356.45 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline is sourced from PubChem (CID 2015262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).