2,3-dioxo-1,4-dihydroquinoxaline-5-carboxylic acid

C9H6N2O4 — CID 6484131

IUPAC2,3-dioxo-1,4-dihydroquinoxaline-5-carboxylic acid
SMILESO=C(O)c1cccc2[nH]c(=O)c(=O)[nH]c12
InChIInChI=1S/C9H6N2O4/c12-7-8(13)11-6-4(9(14)15)2-1-3-5(6)10-7/h1-3H,(H,10,12)(H,11,13)(H,14,15)
InChIKeyWGTRULPFJQWGLZ-UHFFFAOYSA-N
MW206.16 g/mol
LogP-0.09
Rot. Bonds1

About 2,3-dioxo-1,4-dihydroquinoxaline-5-carboxylic acid

2,3-dioxo-1,4-dihydroquinoxaline-5-carboxylic acid (PubChem CID 6484131) has the molecular formula C9H6N2O4 and a molecular weight of 206.16 g/mol. Its IUPAC name is 2,3-dioxo-1,4-dihydroquinoxaline-5-carboxylic acid.

Molecular Properties

Compound Name2,3-dioxo-1,4-dihydroquinoxaline-5-carboxylic acid
PubChem CID6484131
Molecular FormulaC9H6N2O4
Molecular Weight206.16 g/mol
Exact Mass206.03
IUPAC Name2,3-dioxo-1,4-dihydroquinoxaline-5-carboxylic acid
SMILESO=C(O)c1cccc2[nH]c(=O)c(=O)[nH]c12
InChIInChI=1S/C9H6N2O4/c12-7-8(13)11-6-4(9(14)15)2-1-3-5(6)10-7/h1-3H,(H,10,12)(H,11,13)(H,14,15)
InChIKeyWGTRULPFJQWGLZ-UHFFFAOYSA-N
XLogP-0.09
TPSA103.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2,3-dioxo-1,4-dihydroquinoxaline-5-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 2,3-dioxo-1,4-dihydroquinoxaline-5-carboxylic acid?
The IUPAC name of 2,3-dioxo-1,4-dihydroquinoxaline-5-carboxylic acid (CID 6484131) is 2,3-dioxo-1,4-dihydroquinoxaline-5-carboxylic acid.
What is the SMILES notation for 2,3-dioxo-1,4-dihydroquinoxaline-5-carboxylic acid?
The canonical SMILES for 2,3-dioxo-1,4-dihydroquinoxaline-5-carboxylic acid is O=C(O)c1cccc2[nH]c(=O)c(=O)[nH]c12.
What is the InChIKey of 2,3-dioxo-1,4-dihydroquinoxaline-5-carboxylic acid?
The InChIKey is WGTRULPFJQWGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O4/c12-7-8(13)11-6-4(9(14)15)2-1-3-5(6)10-7/h1-3H,(H,10,12)(H,11,13)(H,14,15).
What are the key properties of 2,3-dioxo-1,4-dihydroquinoxaline-5-carboxylic acid?
2,3-dioxo-1,4-dihydroquinoxaline-5-carboxylic acid has a molecular weight of 206.16 g/mol, XLogP of -0.09, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dioxo-1,4-dihydroquinoxaline-5-carboxylic acid is sourced from PubChem (CID 6484131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).