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

C16H14N4OS — CID 18999843

IUPAC2-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline
SMILESCOCCn1cc2cc3ncc(-c4ccsc4)nc3cc2n1
InChIInChI=1S/C16H14N4OS/c1-21-4-3-20-9-12-6-14-15(7-13(12)19-20)18-16(8-17-14)11-2-5-22-10-11/h2,5-10H,3-4H2,1H3
InChIKeyNSRKFYYXVORWLC-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.35
Rot. Bonds4

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

2-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline (PubChem CID 18999843) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline.

Molecular Properties

Compound Name2-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline
PubChem CID18999843
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC Name2-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline
SMILESCOCCn1cc2cc3ncc(-c4ccsc4)nc3cc2n1
InChIInChI=1S/C16H14N4OS/c1-21-4-3-20-9-12-6-14-15(7-13(12)19-20)18-16(8-17-14)11-2-5-22-10-11/h2,5-10H,3-4H2,1H3
InChIKeyNSRKFYYXVORWLC-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline?
The IUPAC name of 2-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline (CID 18999843) is 2-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline.
What is the SMILES notation for 2-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline?
The canonical SMILES for 2-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline is COCCn1cc2cc3ncc(-c4ccsc4)nc3cc2n1.
What is the InChIKey of 2-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline?
The InChIKey is NSRKFYYXVORWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c1-21-4-3-20-9-12-6-14-15(7-13(12)19-20)18-16(8-17-14)11-2-5-22-10-11/h2,5-10H,3-4H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline?
2-(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 2-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline is sourced from PubChem (CID 18999843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).