4-cyclopropyl-2,3-dioxo-1H-quinoxaline-6-carboxylic acid

C12H10N2O4 — CID 82784318

IUPAC4-cyclopropyl-2,3-dioxo-1H-quinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c(=O)c(=O)n(C3CC3)c2c1
InChIInChI=1S/C12H10N2O4/c15-10-11(16)14(7-2-3-7)9-5-6(12(17)18)1-4-8(9)13-10/h1,4-5,7H,2-3H2,(H,13,15)(H,17,18)
InChIKeyDRMXAOVOWXSYAW-UHFFFAOYSA-N
MW246.22 g/mol
LogP0.72
Rot. Bonds2

About 4-cyclopropyl-2,3-dioxo-1H-quinoxaline-6-carboxylic acid

4-cyclopropyl-2,3-dioxo-1H-quinoxaline-6-carboxylic acid (PubChem CID 82784318) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 4-cyclopropyl-2,3-dioxo-1H-quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2,3-dioxo-1H-quinoxaline-6-carboxylic acid
PubChem CID82784318
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name4-cyclopropyl-2,3-dioxo-1H-quinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c(=O)c(=O)n(C3CC3)c2c1
InChIInChI=1S/C12H10N2O4/c15-10-11(16)14(7-2-3-7)9-5-6(12(17)18)1-4-8(9)13-10/h1,4-5,7H,2-3H2,(H,13,15)(H,17,18)
InChIKeyDRMXAOVOWXSYAW-UHFFFAOYSA-N
XLogP0.72
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-cyclopropyl-2,3-dioxo-1H-quinoxaline-6-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2,3-dioxo-1H-quinoxaline-6-carboxylic acid (CID 82784318) is 4-cyclopropyl-2,3-dioxo-1H-quinoxaline-6-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2,3-dioxo-1H-quinoxaline-6-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2,3-dioxo-1H-quinoxaline-6-carboxylic acid is O=C(O)c1ccc2[nH]c(=O)c(=O)n(C3CC3)c2c1.
What is the InChIKey of 4-cyclopropyl-2,3-dioxo-1H-quinoxaline-6-carboxylic acid?
The InChIKey is DRMXAOVOWXSYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c15-10-11(16)14(7-2-3-7)9-5-6(12(17)18)1-4-8(9)13-10/h1,4-5,7H,2-3H2,(H,13,15)(H,17,18).
What are the key properties of 4-cyclopropyl-2,3-dioxo-1H-quinoxaline-6-carboxylic acid?
4-cyclopropyl-2,3-dioxo-1H-quinoxaline-6-carboxylic acid has a molecular weight of 246.22 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2,3-dioxo-1H-quinoxaline-6-carboxylic acid is sourced from PubChem (CID 82784318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).