4-methyl-1H-quinoxaline-2,3-dione

C9H8N2O2 — CID 600627

IUPAC4-methyl-1H-quinoxaline-2,3-dione
SMILESCn1c(=O)c(=O)[nH]c2ccccc21
InChIInChI=1S/C9H8N2O2/c1-11-7-5-3-2-4-6(7)10-8(12)9(11)13/h2-5H,1H3,(H,10,12)
InChIKeyZJDLDFIDSAFPFG-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.23
Rot. Bonds

About 4-methyl-1H-quinoxaline-2,3-dione

4-methyl-1H-quinoxaline-2,3-dione (PubChem CID 600627) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 4-methyl-1H-quinoxaline-2,3-dione.

Molecular Properties

Compound Name4-methyl-1H-quinoxaline-2,3-dione
PubChem CID600627
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name4-methyl-1H-quinoxaline-2,3-dione
SMILESCn1c(=O)c(=O)[nH]c2ccccc21
InChIInChI=1S/C9H8N2O2/c1-11-7-5-3-2-4-6(7)10-8(12)9(11)13/h2-5H,1H3,(H,10,12)
InChIKeyZJDLDFIDSAFPFG-UHFFFAOYSA-N
XLogP0.23
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.23
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-methyl-1H-quinoxaline-2,3-dione?
The IUPAC name of 4-methyl-1H-quinoxaline-2,3-dione (CID 600627) is 4-methyl-1H-quinoxaline-2,3-dione.
What is the SMILES notation for 4-methyl-1H-quinoxaline-2,3-dione?
The canonical SMILES for 4-methyl-1H-quinoxaline-2,3-dione is Cn1c(=O)c(=O)[nH]c2ccccc21.
What is the InChIKey of 4-methyl-1H-quinoxaline-2,3-dione?
The InChIKey is ZJDLDFIDSAFPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-11-7-5-3-2-4-6(7)10-8(12)9(11)13/h2-5H,1H3,(H,10,12).
What are the key properties of 4-methyl-1H-quinoxaline-2,3-dione?
4-methyl-1H-quinoxaline-2,3-dione has a molecular weight of 176.17 g/mol, XLogP of 0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1H-quinoxaline-2,3-dione is sourced from PubChem (CID 600627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).