2,3-dioxo-1-(oxolan-3-yl)-4H-quinoxaline-5-carboxylic acid

C13H12N2O5 — CID 115541574

IUPAC2,3-dioxo-1-(oxolan-3-yl)-4H-quinoxaline-5-carboxylic acid
SMILESO=C(O)c1cccc2c1[nH]c(=O)c(=O)n2C1CCOC1
InChIInChI=1S/C13H12N2O5/c16-11-12(17)15(7-4-5-20-6-7)9-3-1-2-8(13(18)19)10(9)14-11/h1-3,7H,4-6H2,(H,14,16)(H,18,19)
InChIKeyASBCQSHZARSKSC-UHFFFAOYSA-N
MW276.25 g/mol
LogP0.35
Rot. Bonds2

About 2,3-dioxo-1-(oxolan-3-yl)-4H-quinoxaline-5-carboxylic acid

2,3-dioxo-1-(oxolan-3-yl)-4H-quinoxaline-5-carboxylic acid (PubChem CID 115541574) has the molecular formula C13H12N2O5 and a molecular weight of 276.25 g/mol. Its IUPAC name is 2,3-dioxo-1-(oxolan-3-yl)-4H-quinoxaline-5-carboxylic acid.

Molecular Properties

Compound Name2,3-dioxo-1-(oxolan-3-yl)-4H-quinoxaline-5-carboxylic acid
PubChem CID115541574
Molecular FormulaC13H12N2O5
Molecular Weight276.25 g/mol
Exact Mass276.07
IUPAC Name2,3-dioxo-1-(oxolan-3-yl)-4H-quinoxaline-5-carboxylic acid
SMILESO=C(O)c1cccc2c1[nH]c(=O)c(=O)n2C1CCOC1
InChIInChI=1S/C13H12N2O5/c16-11-12(17)15(7-4-5-20-6-7)9-3-1-2-8(13(18)19)10(9)14-11/h1-3,7H,4-6H2,(H,14,16)(H,18,19)
InChIKeyASBCQSHZARSKSC-UHFFFAOYSA-N
XLogP0.35
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dioxo-1-(oxolan-3-yl)-4H-quinoxaline-5-carboxylic acid?
The IUPAC name of 2,3-dioxo-1-(oxolan-3-yl)-4H-quinoxaline-5-carboxylic acid (CID 115541574) is 2,3-dioxo-1-(oxolan-3-yl)-4H-quinoxaline-5-carboxylic acid.
What is the SMILES notation for 2,3-dioxo-1-(oxolan-3-yl)-4H-quinoxaline-5-carboxylic acid?
The canonical SMILES for 2,3-dioxo-1-(oxolan-3-yl)-4H-quinoxaline-5-carboxylic acid is O=C(O)c1cccc2c1[nH]c(=O)c(=O)n2C1CCOC1.
What is the InChIKey of 2,3-dioxo-1-(oxolan-3-yl)-4H-quinoxaline-5-carboxylic acid?
The InChIKey is ASBCQSHZARSKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5/c16-11-12(17)15(7-4-5-20-6-7)9-3-1-2-8(13(18)19)10(9)14-11/h1-3,7H,4-6H2,(H,14,16)(H,18,19).
What are the key properties of 2,3-dioxo-1-(oxolan-3-yl)-4H-quinoxaline-5-carboxylic acid?
2,3-dioxo-1-(oxolan-3-yl)-4H-quinoxaline-5-carboxylic acid has a molecular weight of 276.25 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dioxo-1-(oxolan-3-yl)-4H-quinoxaline-5-carboxylic acid is sourced from PubChem (CID 115541574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).