3-thiophen-2-yl-1H-quinoxalin-2-one

C12H8N2OS — CID 723698

IUPAC3-thiophen-2-yl-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1-c1cccs1
InChIInChI=1S/C12H8N2OS/c15-12-11(10-6-3-7-16-10)13-8-4-1-2-5-9(8)14-12/h1-7H,(H,14,15)
InChIKeyPWIKCZVHLJFOFW-UHFFFAOYSA-N
MW228.28 g/mol
LogP2.65
Rot. Bonds1

About 3-thiophen-2-yl-1H-quinoxalin-2-one

3-thiophen-2-yl-1H-quinoxalin-2-one (PubChem CID 723698) has the molecular formula C12H8N2OS and a molecular weight of 228.28 g/mol. Its IUPAC name is 3-thiophen-2-yl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-thiophen-2-yl-1H-quinoxalin-2-one
PubChem CID723698
Molecular FormulaC12H8N2OS
Molecular Weight228.28 g/mol
Exact Mass228.04
IUPAC Name3-thiophen-2-yl-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1-c1cccs1
InChIInChI=1S/C12H8N2OS/c15-12-11(10-6-3-7-16-10)13-8-4-1-2-5-9(8)14-12/h1-7H,(H,14,15)
InChIKeyPWIKCZVHLJFOFW-UHFFFAOYSA-N
XLogP2.65
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-1H-quinoxalin-2-one?
The IUPAC name of 3-thiophen-2-yl-1H-quinoxalin-2-one (CID 723698) is 3-thiophen-2-yl-1H-quinoxalin-2-one.
What is the SMILES notation for 3-thiophen-2-yl-1H-quinoxalin-2-one?
The canonical SMILES for 3-thiophen-2-yl-1H-quinoxalin-2-one is O=c1[nH]c2ccccc2nc1-c1cccs1.
What is the InChIKey of 3-thiophen-2-yl-1H-quinoxalin-2-one?
The InChIKey is PWIKCZVHLJFOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2OS/c15-12-11(10-6-3-7-16-10)13-8-4-1-2-5-9(8)14-12/h1-7H,(H,14,15).
What are the key properties of 3-thiophen-2-yl-1H-quinoxalin-2-one?
3-thiophen-2-yl-1H-quinoxalin-2-one has a molecular weight of 228.28 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-1H-quinoxalin-2-one is sourced from PubChem (CID 723698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).