2-(7-methoxyquinoxalin-2-yl)sulfanylethanol

C11H12N2O2S — CID 66746258

IUPAC2-(7-methoxyquinoxalin-2-yl)sulfanylethanol
SMILESCOc1ccc2ncc(SCCO)nc2c1
InChIInChI=1S/C11H12N2O2S/c1-15-8-2-3-9-10(6-8)13-11(7-12-9)16-5-4-14/h2-3,6-7,14H,4-5H2,1H3
InChIKeyYROOISVQEPGHEB-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.72
Rot. Bonds4

About 2-(7-methoxyquinoxalin-2-yl)sulfanylethanol

2-(7-methoxyquinoxalin-2-yl)sulfanylethanol (PubChem CID 66746258) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-(7-methoxyquinoxalin-2-yl)sulfanylethanol.

Molecular Properties

Compound Name2-(7-methoxyquinoxalin-2-yl)sulfanylethanol
PubChem CID66746258
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name2-(7-methoxyquinoxalin-2-yl)sulfanylethanol
SMILESCOc1ccc2ncc(SCCO)nc2c1
InChIInChI=1S/C11H12N2O2S/c1-15-8-2-3-9-10(6-8)13-11(7-12-9)16-5-4-14/h2-3,6-7,14H,4-5H2,1H3
InChIKeyYROOISVQEPGHEB-UHFFFAOYSA-N
XLogP1.72
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxyquinoxalin-2-yl)sulfanylethanol?
The IUPAC name of 2-(7-methoxyquinoxalin-2-yl)sulfanylethanol (CID 66746258) is 2-(7-methoxyquinoxalin-2-yl)sulfanylethanol.
What is the SMILES notation for 2-(7-methoxyquinoxalin-2-yl)sulfanylethanol?
The canonical SMILES for 2-(7-methoxyquinoxalin-2-yl)sulfanylethanol is COc1ccc2ncc(SCCO)nc2c1.
What is the InChIKey of 2-(7-methoxyquinoxalin-2-yl)sulfanylethanol?
The InChIKey is YROOISVQEPGHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-15-8-2-3-9-10(6-8)13-11(7-12-9)16-5-4-14/h2-3,6-7,14H,4-5H2,1H3.
What are the key properties of 2-(7-methoxyquinoxalin-2-yl)sulfanylethanol?
2-(7-methoxyquinoxalin-2-yl)sulfanylethanol has a molecular weight of 236.30 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxyquinoxalin-2-yl)sulfanylethanol is sourced from PubChem (CID 66746258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).