4,6,7-trimethyl-1H-quinoxaline-2,3-dione

C11H12N2O2 — CID 609288

IUPAC4,6,7-trimethyl-1H-quinoxaline-2,3-dione
SMILESCc1cc2[nH]c(=O)c(=O)n(C)c2cc1C
InChIInChI=1S/C11H12N2O2/c1-6-4-8-9(5-7(6)2)13(3)11(15)10(14)12-8/h4-5H,1-3H3,(H,12,14)
InChIKeyZUQUSPPQQXAYFG-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.84
Rot. Bonds

About 4,6,7-trimethyl-1H-quinoxaline-2,3-dione

4,6,7-trimethyl-1H-quinoxaline-2,3-dione (PubChem CID 609288) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4,6,7-trimethyl-1H-quinoxaline-2,3-dione.

Molecular Properties

Compound Name4,6,7-trimethyl-1H-quinoxaline-2,3-dione
PubChem CID609288
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name4,6,7-trimethyl-1H-quinoxaline-2,3-dione
SMILESCc1cc2[nH]c(=O)c(=O)n(C)c2cc1C
InChIInChI=1S/C11H12N2O2/c1-6-4-8-9(5-7(6)2)13(3)11(15)10(14)12-8/h4-5H,1-3H3,(H,12,14)
InChIKeyZUQUSPPQQXAYFG-UHFFFAOYSA-N
XLogP0.84
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4,6,7-trimethyl-1H-quinoxaline-2,3-dione?
The IUPAC name of 4,6,7-trimethyl-1H-quinoxaline-2,3-dione (CID 609288) is 4,6,7-trimethyl-1H-quinoxaline-2,3-dione.
What is the SMILES notation for 4,6,7-trimethyl-1H-quinoxaline-2,3-dione?
The canonical SMILES for 4,6,7-trimethyl-1H-quinoxaline-2,3-dione is Cc1cc2[nH]c(=O)c(=O)n(C)c2cc1C.
What is the InChIKey of 4,6,7-trimethyl-1H-quinoxaline-2,3-dione?
The InChIKey is ZUQUSPPQQXAYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-6-4-8-9(5-7(6)2)13(3)11(15)10(14)12-8/h4-5H,1-3H3,(H,12,14).
What are the key properties of 4,6,7-trimethyl-1H-quinoxaline-2,3-dione?
4,6,7-trimethyl-1H-quinoxaline-2,3-dione has a molecular weight of 204.23 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7-trimethyl-1H-quinoxaline-2,3-dione is sourced from PubChem (CID 609288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).