4,7-dimethyl-1H-quinoxaline-2,3-dione

C10H10N2O2 — CID 18788081

IUPAC4,7-dimethyl-1H-quinoxaline-2,3-dione
SMILESCc1ccc2c(c1)[nH]c(=O)c(=O)n2C
InChIInChI=1S/C10H10N2O2/c1-6-3-4-8-7(5-6)11-9(13)10(14)12(8)2/h3-5H,1-2H3,(H,11,13)
InChIKeyJXCFKGXKVDHZFZ-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.54
Rot. Bonds

About 4,7-dimethyl-1H-quinoxaline-2,3-dione

4,7-dimethyl-1H-quinoxaline-2,3-dione (PubChem CID 18788081) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 4,7-dimethyl-1H-quinoxaline-2,3-dione.

Molecular Properties

Compound Name4,7-dimethyl-1H-quinoxaline-2,3-dione
PubChem CID18788081
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name4,7-dimethyl-1H-quinoxaline-2,3-dione
SMILESCc1ccc2c(c1)[nH]c(=O)c(=O)n2C
InChIInChI=1S/C10H10N2O2/c1-6-3-4-8-7(5-6)11-9(13)10(14)12(8)2/h3-5H,1-2H3,(H,11,13)
InChIKeyJXCFKGXKVDHZFZ-UHFFFAOYSA-N
XLogP0.54
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.54
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 4,7-dimethyl-1H-quinoxaline-2,3-dione?
The IUPAC name of 4,7-dimethyl-1H-quinoxaline-2,3-dione (CID 18788081) is 4,7-dimethyl-1H-quinoxaline-2,3-dione.
What is the SMILES notation for 4,7-dimethyl-1H-quinoxaline-2,3-dione?
The canonical SMILES for 4,7-dimethyl-1H-quinoxaline-2,3-dione is Cc1ccc2c(c1)[nH]c(=O)c(=O)n2C.
What is the InChIKey of 4,7-dimethyl-1H-quinoxaline-2,3-dione?
The InChIKey is JXCFKGXKVDHZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-6-3-4-8-7(5-6)11-9(13)10(14)12(8)2/h3-5H,1-2H3,(H,11,13).
What are the key properties of 4,7-dimethyl-1H-quinoxaline-2,3-dione?
4,7-dimethyl-1H-quinoxaline-2,3-dione has a molecular weight of 190.20 g/mol, XLogP of 0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-1H-quinoxaline-2,3-dione is sourced from PubChem (CID 18788081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).