2-(2-fluoro-3,4,5-trimethoxyphenyl)sulfanylquinoxaline

C17H15FN2O3S — CID 139233557

IUPAC2-(2-fluoro-3,4,5-trimethoxyphenyl)sulfanylquinoxaline
SMILESCOc1cc(Sc2cnc3ccccc3n2)c(F)c(OC)c1OC
InChIInChI=1S/C17H15FN2O3S/c1-21-12-8-13(15(18)17(23-3)16(12)22-2)24-14-9-19-10-6-4-5-7-11(10)20-14/h4-9H,1-3H3
InChIKeyXLDOXUAJMXIKAT-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.95
Rot. Bonds5

About 2-(2-fluoro-3,4,5-trimethoxyphenyl)sulfanylquinoxaline

2-(2-fluoro-3,4,5-trimethoxyphenyl)sulfanylquinoxaline (PubChem CID 139233557) has the molecular formula C17H15FN2O3S and a molecular weight of 346.38 g/mol. Its IUPAC name is 2-(2-fluoro-3,4,5-trimethoxyphenyl)sulfanylquinoxaline.

Molecular Properties

Compound Name2-(2-fluoro-3,4,5-trimethoxyphenyl)sulfanylquinoxaline
PubChem CID139233557
Molecular FormulaC17H15FN2O3S
Molecular Weight346.38 g/mol
Exact Mass346.08
IUPAC Name2-(2-fluoro-3,4,5-trimethoxyphenyl)sulfanylquinoxaline
SMILESCOc1cc(Sc2cnc3ccccc3n2)c(F)c(OC)c1OC
InChIInChI=1S/C17H15FN2O3S/c1-21-12-8-13(15(18)17(23-3)16(12)22-2)24-14-9-19-10-6-4-5-7-11(10)20-14/h4-9H,1-3H3
InChIKeyXLDOXUAJMXIKAT-UHFFFAOYSA-N
XLogP3.95
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3,4,5-trimethoxyphenyl)sulfanylquinoxaline?
The IUPAC name of 2-(2-fluoro-3,4,5-trimethoxyphenyl)sulfanylquinoxaline (CID 139233557) is 2-(2-fluoro-3,4,5-trimethoxyphenyl)sulfanylquinoxaline.
What is the SMILES notation for 2-(2-fluoro-3,4,5-trimethoxyphenyl)sulfanylquinoxaline?
The canonical SMILES for 2-(2-fluoro-3,4,5-trimethoxyphenyl)sulfanylquinoxaline is COc1cc(Sc2cnc3ccccc3n2)c(F)c(OC)c1OC.
What is the InChIKey of 2-(2-fluoro-3,4,5-trimethoxyphenyl)sulfanylquinoxaline?
The InChIKey is XLDOXUAJMXIKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3S/c1-21-12-8-13(15(18)17(23-3)16(12)22-2)24-14-9-19-10-6-4-5-7-11(10)20-14/h4-9H,1-3H3.
What are the key properties of 2-(2-fluoro-3,4,5-trimethoxyphenyl)sulfanylquinoxaline?
2-(2-fluoro-3,4,5-trimethoxyphenyl)sulfanylquinoxaline has a molecular weight of 346.38 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3,4,5-trimethoxyphenyl)sulfanylquinoxaline is sourced from PubChem (CID 139233557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).