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

C17H16N4S — CID 664350

IUPAC3-(2-methylpropyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline
SMILESCC(C)Cn1c(-c2cccs2)nc2nc3ccccc3nc21
InChIInChI=1S/C17H16N4S/c1-11(2)10-21-16(14-8-5-9-22-14)20-15-17(21)19-13-7-4-3-6-12(13)18-15/h3-9,11H,10H2,1-2H3
InChIKeyWFZYXDLGOZSFAX-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.36
Rot. Bonds3

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

3-(2-methylpropyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline (PubChem CID 664350) has the molecular formula C17H16N4S and a molecular weight of 308.41 g/mol. Its IUPAC name is 3-(2-methylpropyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name3-(2-methylpropyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline
PubChem CID664350
Molecular FormulaC17H16N4S
Molecular Weight308.41 g/mol
Exact Mass308.11
IUPAC Name3-(2-methylpropyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline
SMILESCC(C)Cn1c(-c2cccs2)nc2nc3ccccc3nc21
InChIInChI=1S/C17H16N4S/c1-11(2)10-21-16(14-8-5-9-22-14)20-15-17(21)19-13-7-4-3-6-12(13)18-15/h3-9,11H,10H2,1-2H3
InChIKeyWFZYXDLGOZSFAX-UHFFFAOYSA-N
XLogP4.36
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline?
The IUPAC name of 3-(2-methylpropyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline (CID 664350) is 3-(2-methylpropyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline.
What is the SMILES notation for 3-(2-methylpropyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline?
The canonical SMILES for 3-(2-methylpropyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline is CC(C)Cn1c(-c2cccs2)nc2nc3ccccc3nc21.
What is the InChIKey of 3-(2-methylpropyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline?
The InChIKey is WFZYXDLGOZSFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4S/c1-11(2)10-21-16(14-8-5-9-22-14)20-15-17(21)19-13-7-4-3-6-12(13)18-15/h3-9,11H,10H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline?
3-(2-methylpropyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline has a molecular weight of 308.41 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline is sourced from PubChem (CID 664350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).