5-methylquinoxaline-2,3-dione

C9H6N2O2 — CID 54124950

IUPAC5-methylquinoxaline-2,3-dione
SMILESCc1cccc2c1=NC(=O)C(=O)N=2
InChIInChI=1S/C9H6N2O2/c1-5-3-2-4-6-7(5)11-9(13)8(12)10-6/h2-4H,1H3
InChIKeyNQHDXXOCLASMDR-UHFFFAOYSA-N
MW174.16 g/mol
LogP-0.70
Rot. Bonds

About 5-methylquinoxaline-2,3-dione

5-methylquinoxaline-2,3-dione (PubChem CID 54124950) has the molecular formula C9H6N2O2 and a molecular weight of 174.16 g/mol. Its IUPAC name is 5-methylquinoxaline-2,3-dione.

Molecular Properties

Compound Name5-methylquinoxaline-2,3-dione
PubChem CID54124950
Molecular FormulaC9H6N2O2
Molecular Weight174.16 g/mol
Exact Mass174.04
IUPAC Name5-methylquinoxaline-2,3-dione
SMILESCc1cccc2c1=NC(=O)C(=O)N=2
InChIInChI=1S/C9H6N2O2/c1-5-3-2-4-6-7(5)11-9(13)8(12)10-6/h2-4H,1H3
InChIKeyNQHDXXOCLASMDR-UHFFFAOYSA-N
XLogP-0.70
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 5-0.70
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 5-methylquinoxaline-2,3-dione?
The IUPAC name of 5-methylquinoxaline-2,3-dione (CID 54124950) is 5-methylquinoxaline-2,3-dione.
What is the SMILES notation for 5-methylquinoxaline-2,3-dione?
The canonical SMILES for 5-methylquinoxaline-2,3-dione is Cc1cccc2c1=NC(=O)C(=O)N=2.
What is the InChIKey of 5-methylquinoxaline-2,3-dione?
The InChIKey is NQHDXXOCLASMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O2/c1-5-3-2-4-6-7(5)11-9(13)8(12)10-6/h2-4H,1H3.
What are the key properties of 5-methylquinoxaline-2,3-dione?
5-methylquinoxaline-2,3-dione has a molecular weight of 174.16 g/mol, XLogP of -0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylquinoxaline-2,3-dione is sourced from PubChem (CID 54124950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).