2-(5-phenylthiophen-2-yl)quinoxaline

C18H12N2S — CID 10850904

IUPAC2-(5-phenylthiophen-2-yl)quinoxaline
SMILESc1ccc(-c2ccc(-c3cnc4ccccc4n3)s2)cc1
InChIInChI=1S/C18H12N2S/c1-2-6-13(7-3-1)17-10-11-18(21-17)16-12-19-14-8-4-5-9-15(14)20-16/h1-12H
InChIKeyDNTZOVAPOJWTSU-UHFFFAOYSA-N
MW288.38 g/mol
LogP5.03
Rot. Bonds2

About 2-(5-phenylthiophen-2-yl)quinoxaline

2-(5-phenylthiophen-2-yl)quinoxaline (PubChem CID 10850904) has the molecular formula C18H12N2S and a molecular weight of 288.38 g/mol. Its IUPAC name is 2-(5-phenylthiophen-2-yl)quinoxaline.

Molecular Properties

Compound Name2-(5-phenylthiophen-2-yl)quinoxaline
PubChem CID10850904
Molecular FormulaC18H12N2S
Molecular Weight288.38 g/mol
Exact Mass288.07
IUPAC Name2-(5-phenylthiophen-2-yl)quinoxaline
SMILESc1ccc(-c2ccc(-c3cnc4ccccc4n3)s2)cc1
InChIInChI=1S/C18H12N2S/c1-2-6-13(7-3-1)17-10-11-18(21-17)16-12-19-14-8-4-5-9-15(14)20-16/h1-12H
InChIKeyDNTZOVAPOJWTSU-UHFFFAOYSA-N
XLogP5.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.38
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-phenylthiophen-2-yl)quinoxaline?
The IUPAC name of 2-(5-phenylthiophen-2-yl)quinoxaline (CID 10850904) is 2-(5-phenylthiophen-2-yl)quinoxaline.
What is the SMILES notation for 2-(5-phenylthiophen-2-yl)quinoxaline?
The canonical SMILES for 2-(5-phenylthiophen-2-yl)quinoxaline is c1ccc(-c2ccc(-c3cnc4ccccc4n3)s2)cc1.
What is the InChIKey of 2-(5-phenylthiophen-2-yl)quinoxaline?
The InChIKey is DNTZOVAPOJWTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2S/c1-2-6-13(7-3-1)17-10-11-18(21-17)16-12-19-14-8-4-5-9-15(14)20-16/h1-12H.
What are the key properties of 2-(5-phenylthiophen-2-yl)quinoxaline?
2-(5-phenylthiophen-2-yl)quinoxaline has a molecular weight of 288.38 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenylthiophen-2-yl)quinoxaline is sourced from PubChem (CID 10850904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).