2-(3-methyl-1-benzothiophen-2-yl)quinoxaline

C17H12N2S — CID 14099248

IUPAC2-(3-methyl-1-benzothiophen-2-yl)quinoxaline
SMILESCc1c(-c2cnc3ccccc3n2)sc2ccccc12
InChIInChI=1S/C17H12N2S/c1-11-12-6-2-5-9-16(12)20-17(11)15-10-18-13-7-3-4-8-14(13)19-15/h2-10H,1H3
InChIKeyPLEOIGBGOYDSHP-UHFFFAOYSA-N
MW276.36 g/mol
LogP4.82
Rot. Bonds1

About 2-(3-methyl-1-benzothiophen-2-yl)quinoxaline

2-(3-methyl-1-benzothiophen-2-yl)quinoxaline (PubChem CID 14099248) has the molecular formula C17H12N2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-(3-methyl-1-benzothiophen-2-yl)quinoxaline.

Molecular Properties

Compound Name2-(3-methyl-1-benzothiophen-2-yl)quinoxaline
PubChem CID14099248
Molecular FormulaC17H12N2S
Molecular Weight276.36 g/mol
Exact Mass276.07
IUPAC Name2-(3-methyl-1-benzothiophen-2-yl)quinoxaline
SMILESCc1c(-c2cnc3ccccc3n2)sc2ccccc12
InChIInChI=1S/C17H12N2S/c1-11-12-6-2-5-9-16(12)20-17(11)15-10-18-13-7-3-4-8-14(13)19-15/h2-10H,1H3
InChIKeyPLEOIGBGOYDSHP-UHFFFAOYSA-N
XLogP4.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1-benzothiophen-2-yl)quinoxaline?
The IUPAC name of 2-(3-methyl-1-benzothiophen-2-yl)quinoxaline (CID 14099248) is 2-(3-methyl-1-benzothiophen-2-yl)quinoxaline.
What is the SMILES notation for 2-(3-methyl-1-benzothiophen-2-yl)quinoxaline?
The canonical SMILES for 2-(3-methyl-1-benzothiophen-2-yl)quinoxaline is Cc1c(-c2cnc3ccccc3n2)sc2ccccc12.
What is the InChIKey of 2-(3-methyl-1-benzothiophen-2-yl)quinoxaline?
The InChIKey is PLEOIGBGOYDSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2S/c1-11-12-6-2-5-9-16(12)20-17(11)15-10-18-13-7-3-4-8-14(13)19-15/h2-10H,1H3.
What are the key properties of 2-(3-methyl-1-benzothiophen-2-yl)quinoxaline?
2-(3-methyl-1-benzothiophen-2-yl)quinoxaline has a molecular weight of 276.36 g/mol, XLogP of 4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1-benzothiophen-2-yl)quinoxaline is sourced from PubChem (CID 14099248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).