2-[2-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-2-oxoethoxy]acetic acid

C12H10N2O6 — CID 61329534

IUPAC2-[2-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C12H10N2O6/c15-9(4-20-5-10(16)17)6-1-2-7-8(3-6)14-12(19)11(18)13-7/h1-3H,4-5H2,(H,13,18)(H,14,19)(H,16,17)
InChIKeyAFJURSZHBHMNAM-UHFFFAOYSA-N
MW278.22 g/mol
LogP-0.50
Rot. Bonds5

About 2-[2-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-2-oxoethoxy]acetic acid

2-[2-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-2-oxoethoxy]acetic acid (PubChem CID 61329534) has the molecular formula C12H10N2O6 and a molecular weight of 278.22 g/mol. Its IUPAC name is 2-[2-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-2-oxoethoxy]acetic acid
PubChem CID61329534
Molecular FormulaC12H10N2O6
Molecular Weight278.22 g/mol
Exact Mass278.05
IUPAC Name2-[2-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C12H10N2O6/c15-9(4-20-5-10(16)17)6-1-2-7-8(3-6)14-12(19)11(18)13-7/h1-3H,4-5H2,(H,13,18)(H,14,19)(H,16,17)
InChIKeyAFJURSZHBHMNAM-UHFFFAOYSA-N
XLogP-0.50
TPSA129.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
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-[2-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-2-oxoethoxy]acetic acid (CID 61329534) is 2-[2-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-2-oxoethoxy]acetic acid is O=C(O)COCC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1.
What is the InChIKey of 2-[2-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-2-oxoethoxy]acetic acid?
The InChIKey is AFJURSZHBHMNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O6/c15-9(4-20-5-10(16)17)6-1-2-7-8(3-6)14-12(19)11(18)13-7/h1-3H,4-5H2,(H,13,18)(H,14,19)(H,16,17).
What are the key properties of 2-[2-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-2-oxoethoxy]acetic acid?
2-[2-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-2-oxoethoxy]acetic acid has a molecular weight of 278.22 g/mol, XLogP of -0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61329534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).