6,7-diethoxy-2-(5-fluorothiophen-3-yl)quinoxaline

C16H15FN2O2S — CID 18997115

IUPAC6,7-diethoxy-2-(5-fluorothiophen-3-yl)quinoxaline
SMILESCCOc1cc2ncc(-c3csc(F)c3)nc2cc1OCC
InChIInChI=1S/C16H15FN2O2S/c1-3-20-14-6-11-12(7-15(14)21-4-2)19-13(8-18-11)10-5-16(17)22-9-10/h5-9H,3-4H2,1-2H3
InChIKeyMPNAFLXUTVQZBV-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.29
Rot. Bonds5

About 6,7-diethoxy-2-(5-fluorothiophen-3-yl)quinoxaline

6,7-diethoxy-2-(5-fluorothiophen-3-yl)quinoxaline (PubChem CID 18997115) has the molecular formula C16H15FN2O2S and a molecular weight of 318.37 g/mol. Its IUPAC name is 6,7-diethoxy-2-(5-fluorothiophen-3-yl)quinoxaline.

Molecular Properties

Compound Name6,7-diethoxy-2-(5-fluorothiophen-3-yl)quinoxaline
PubChem CID18997115
Molecular FormulaC16H15FN2O2S
Molecular Weight318.37 g/mol
Exact Mass318.08
IUPAC Name6,7-diethoxy-2-(5-fluorothiophen-3-yl)quinoxaline
SMILESCCOc1cc2ncc(-c3csc(F)c3)nc2cc1OCC
InChIInChI=1S/C16H15FN2O2S/c1-3-20-14-6-11-12(7-15(14)21-4-2)19-13(8-18-11)10-5-16(17)22-9-10/h5-9H,3-4H2,1-2H3
InChIKeyMPNAFLXUTVQZBV-UHFFFAOYSA-N
XLogP4.29
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-diethoxy-2-(5-fluorothiophen-3-yl)quinoxaline?
The IUPAC name of 6,7-diethoxy-2-(5-fluorothiophen-3-yl)quinoxaline (CID 18997115) is 6,7-diethoxy-2-(5-fluorothiophen-3-yl)quinoxaline.
What is the SMILES notation for 6,7-diethoxy-2-(5-fluorothiophen-3-yl)quinoxaline?
The canonical SMILES for 6,7-diethoxy-2-(5-fluorothiophen-3-yl)quinoxaline is CCOc1cc2ncc(-c3csc(F)c3)nc2cc1OCC.
What is the InChIKey of 6,7-diethoxy-2-(5-fluorothiophen-3-yl)quinoxaline?
The InChIKey is MPNAFLXUTVQZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2S/c1-3-20-14-6-11-12(7-15(14)21-4-2)19-13(8-18-11)10-5-16(17)22-9-10/h5-9H,3-4H2,1-2H3.
What are the key properties of 6,7-diethoxy-2-(5-fluorothiophen-3-yl)quinoxaline?
6,7-diethoxy-2-(5-fluorothiophen-3-yl)quinoxaline has a molecular weight of 318.37 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethoxy-2-(5-fluorothiophen-3-yl)quinoxaline is sourced from PubChem (CID 18997115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).