1-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline;2-methyl-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline

C30H24N8OS2 — CID 70275626

About 1-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline;2-methyl-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline

1-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline;2-methyl-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline (PubChem CID 70275626) has the molecular formula C30H24N8OS2 and a molecular weight of 576.71 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline;2-methyl-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline.

Molecular Properties

• Compound Name: 1-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline;2-methyl-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline
• PubChem CID: 70275626
• Molecular Formula: C30H24N8OS2
• Molecular Weight: 576.71 g/mol
• Exact Mass: 576.15
• IUPAC Name: 1-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline;2-methyl-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline
• SMILES: COCCn1ncc2cc3ncc(-c4ccsc4)nc3cc21.Cn1cc2cc3ncc(-c4ccsc4)nc3cc2n1
• InChI: InChI=1S/C16H14N4OS.C14H10N4S/c1-21-4-3-20-16-7-14-13(6-12(16)8-18-20)17-9-15(19-14)11-2-5-22-10-11;1-18-7-10-4-12-13(5-11(10)17-18)16-14(6-15-12)9-2-3-19-8-9/h2,5-10H,3-4H2,1H3;2-8H,1H3
• InChIKey: CSVSUBZBNSVVOX-UHFFFAOYSA-N
• XLogP: 6.60
• TPSA: 96.43 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	576.71
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline;2-methyl-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline?

The IUPAC name of 1-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline;2-methyl-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline (CID 70275626) is 1-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline;2-methyl-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline.

What is the SMILES notation for 1-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline;2-methyl-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline?

The canonical SMILES for 1-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline;2-methyl-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline is COCCn1ncc2cc3ncc(-c4ccsc4)nc3cc21.Cn1cc2cc3ncc(-c4ccsc4)nc3cc2n1.

What is the InChIKey of 1-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline;2-methyl-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline?

The InChIKey is CSVSUBZBNSVVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS.C14H10N4S/c1-21-4-3-20-16-7-14-13(6-12(16)8-18-20)17-9-15(19-14)11-2-5-22-10-11;1-18-7-10-4-12-13(5-11(10)17-18)16-14(6-15-12)9-2-3-19-8-9/h2,5-10H,3-4H2,1H3;2-8H,1H3.

What are the key properties of 1-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline;2-methyl-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline?

1-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline;2-methyl-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline has a molecular weight of 576.71 g/mol, XLogP of 6.60, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline;2-methyl-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline is sourced from PubChem (CID 70275626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).