6,7-diethylquinoxaline-2,3-dione

C12H12N2O2 — CID 21190036

IUPAC6,7-diethylquinoxaline-2,3-dione
SMILESCCc1cc2c(cc1CC)=NC(=O)C(=O)N=2
InChIInChI=1S/C12H12N2O2/c1-3-7-5-9-10(6-8(7)4-2)14-12(16)11(15)13-9/h5-6H,3-4H2,1-2H3
InChIKeyVJQPFEOLSVRYCV-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.12
Rot. Bonds2

About 6,7-diethylquinoxaline-2,3-dione

6,7-diethylquinoxaline-2,3-dione (PubChem CID 21190036) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 6,7-diethylquinoxaline-2,3-dione.

Molecular Properties

Compound Name6,7-diethylquinoxaline-2,3-dione
PubChem CID21190036
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name6,7-diethylquinoxaline-2,3-dione
SMILESCCc1cc2c(cc1CC)=NC(=O)C(=O)N=2
InChIInChI=1S/C12H12N2O2/c1-3-7-5-9-10(6-8(7)4-2)14-12(16)11(15)13-9/h5-6H,3-4H2,1-2H3
InChIKeyVJQPFEOLSVRYCV-UHFFFAOYSA-N
XLogP0.12
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 6,7-diethylquinoxaline-2,3-dione?
The IUPAC name of 6,7-diethylquinoxaline-2,3-dione (CID 21190036) is 6,7-diethylquinoxaline-2,3-dione.
What is the SMILES notation for 6,7-diethylquinoxaline-2,3-dione?
The canonical SMILES for 6,7-diethylquinoxaline-2,3-dione is CCc1cc2c(cc1CC)=NC(=O)C(=O)N=2.
What is the InChIKey of 6,7-diethylquinoxaline-2,3-dione?
The InChIKey is VJQPFEOLSVRYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-3-7-5-9-10(6-8(7)4-2)14-12(16)11(15)13-9/h5-6H,3-4H2,1-2H3.
What are the key properties of 6,7-diethylquinoxaline-2,3-dione?
6,7-diethylquinoxaline-2,3-dione has a molecular weight of 216.24 g/mol, XLogP of 0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethylquinoxaline-2,3-dione is sourced from PubChem (CID 21190036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).