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

C16H14N4OS — CID 18999865

IUPAC1-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline
SMILESCOCCn1ncc2cc3ncc(-c4ccsc4)nc3cc21
InChIInChI=1S/C16H14N4OS/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/h2,5-10H,3-4H2,1H3
InChIKeyOGXRGCOHBQZQLR-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.35
Rot. Bonds4

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

1-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline (PubChem CID 18999865) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline.

Molecular Properties

Compound Name1-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline
PubChem CID18999865
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC Name1-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline
SMILESCOCCn1ncc2cc3ncc(-c4ccsc4)nc3cc21
InChIInChI=1S/C16H14N4OS/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/h2,5-10H,3-4H2,1H3
InChIKeyOGXRGCOHBQZQLR-UHFFFAOYSA-N
XLogP3.35
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-thienyl-1H-pyrazolo[3,4-g]quinoxaline
CID 18999799
7-(phenylsulfanylmethyl)-1H-pyrazolo[4,3-g]quinoxaline
CID 18999803
7-(5-Chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline
CID 18999804
7-thienyl-1H-pyrazolo[3,4-g]quinoxaline
CID 18999807
1-(7-Thiophen-3-ylpyrazolo[4,3-g]quinoxalin-2-yl)ethanol
CID 18999837
N-(7-thiophen-3-ylpyrazolo[4,3-g]quinoxalin-2-yl)acetamide
CID 18999840
2-(2-Methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline
CID 18999843
1-Methyl-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline
CID 18999862
1-methyl-7-(5-chlorothien-2-yl)-1H-pyrazolo[3,4-g]quinoxaline
CID 18999869
1-(7-Thiophen-3-ylpyrazolo[4,3-g]quinoxalin-1-yl)ethanol
CID 18999874
2-Methyl-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline
CID 18999884
2-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline;N-(7-thiophen-3-ylpyrazolo[4,3-g]quinoxalin-1-yl)acetamide
CID 18999891

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline?
The IUPAC name of 1-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline (CID 18999865) is 1-(2-methoxyethyl)-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?
The canonical SMILES for 1-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline is COCCn1ncc2cc3ncc(-c4ccsc4)nc3cc21.
What is the InChIKey of 1-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline?
The InChIKey is OGXRGCOHBQZQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/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/h2,5-10H,3-4H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline?
1-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline has a molecular weight of 310.38 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline is sourced from PubChem (CID 18999865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).