2-oxo-3-thiophen-2-yl-1H-quinoxaline-6-carboxylic acid

C13H8N2O3S — CID 21083646

IUPAC2-oxo-3-thiophen-2-yl-1H-quinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c(=O)c(-c3cccs3)nc2c1
InChIInChI=1S/C13H8N2O3S/c16-12-11(10-2-1-5-19-10)14-9-6-7(13(17)18)3-4-8(9)15-12/h1-6H,(H,15,16)(H,17,18)
InChIKeyYPATZSBHEXROHT-UHFFFAOYSA-N
MW272.29 g/mol
LogP2.35
Rot. Bonds2

About 2-oxo-3-thiophen-2-yl-1H-quinoxaline-6-carboxylic acid

2-oxo-3-thiophen-2-yl-1H-quinoxaline-6-carboxylic acid (PubChem CID 21083646) has the molecular formula C13H8N2O3S and a molecular weight of 272.29 g/mol. Its IUPAC name is 2-oxo-3-thiophen-2-yl-1H-quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name2-oxo-3-thiophen-2-yl-1H-quinoxaline-6-carboxylic acid
PubChem CID21083646
Molecular FormulaC13H8N2O3S
Molecular Weight272.29 g/mol
Exact Mass272.03
IUPAC Name2-oxo-3-thiophen-2-yl-1H-quinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c(=O)c(-c3cccs3)nc2c1
InChIInChI=1S/C13H8N2O3S/c16-12-11(10-2-1-5-19-10)14-9-6-7(13(17)18)3-4-8(9)15-12/h1-6H,(H,15,16)(H,17,18)
InChIKeyYPATZSBHEXROHT-UHFFFAOYSA-N
XLogP2.35
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-oxo-3-thiophen-2-yl-1H-quinoxaline-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-thiophen-2-yl-1H-quinoxaline-6-carboxylic acid?
The IUPAC name of 2-oxo-3-thiophen-2-yl-1H-quinoxaline-6-carboxylic acid (CID 21083646) is 2-oxo-3-thiophen-2-yl-1H-quinoxaline-6-carboxylic acid.
What is the SMILES notation for 2-oxo-3-thiophen-2-yl-1H-quinoxaline-6-carboxylic acid?
The canonical SMILES for 2-oxo-3-thiophen-2-yl-1H-quinoxaline-6-carboxylic acid is O=C(O)c1ccc2[nH]c(=O)c(-c3cccs3)nc2c1.
What is the InChIKey of 2-oxo-3-thiophen-2-yl-1H-quinoxaline-6-carboxylic acid?
The InChIKey is YPATZSBHEXROHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O3S/c16-12-11(10-2-1-5-19-10)14-9-6-7(13(17)18)3-4-8(9)15-12/h1-6H,(H,15,16)(H,17,18).
What are the key properties of 2-oxo-3-thiophen-2-yl-1H-quinoxaline-6-carboxylic acid?
2-oxo-3-thiophen-2-yl-1H-quinoxaline-6-carboxylic acid has a molecular weight of 272.29 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-thiophen-2-yl-1H-quinoxaline-6-carboxylic acid is sourced from PubChem (CID 21083646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).