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

C17H16N4OS — CID 2001972

IUPAC3-(3-methoxypropyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline
SMILESCOCCCn1c(-c2cccs2)nc2nc3ccccc3nc21
InChIInChI=1S/C17H16N4OS/c1-22-10-5-9-21-16(14-8-4-11-23-14)20-15-17(21)19-13-7-3-2-6-12(13)18-15/h2-4,6-8,11H,5,9-10H2,1H3
InChIKeyNRDZVCCEUMHWPU-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.74
Rot. Bonds5

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

3-(3-methoxypropyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline (PubChem CID 2001972) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name3-(3-methoxypropyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline
PubChem CID2001972
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Name3-(3-methoxypropyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline
SMILESCOCCCn1c(-c2cccs2)nc2nc3ccccc3nc21
InChIInChI=1S/C17H16N4OS/c1-22-10-5-9-21-16(14-8-4-11-23-14)20-15-17(21)19-13-7-3-2-6-12(13)18-15/h2-4,6-8,11H,5,9-10H2,1H3
InChIKeyNRDZVCCEUMHWPU-UHFFFAOYSA-N
XLogP3.74
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline?
The IUPAC name of 3-(3-methoxypropyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline (CID 2001972) is 3-(3-methoxypropyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline.
What is the SMILES notation for 3-(3-methoxypropyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline?
The canonical SMILES for 3-(3-methoxypropyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline is COCCCn1c(-c2cccs2)nc2nc3ccccc3nc21.
What is the InChIKey of 3-(3-methoxypropyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline?
The InChIKey is NRDZVCCEUMHWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-22-10-5-9-21-16(14-8-4-11-23-14)20-15-17(21)19-13-7-3-2-6-12(13)18-15/h2-4,6-8,11H,5,9-10H2,1H3.
What are the key properties of 3-(3-methoxypropyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline?
3-(3-methoxypropyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline has a molecular weight of 324.41 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline is sourced from PubChem (CID 2001972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).