6-methylquinoxaline-2,3-dione

C9H6N2O2 — CID 19073526

IUPAC6-methylquinoxaline-2,3-dione
SMILESCc1ccc2c(c1)=NC(=O)C(=O)N=2
InChIInChI=1S/C9H6N2O2/c1-5-2-3-6-7(4-5)11-9(13)8(12)10-6/h2-4H,1H3
InChIKeyWPIXQURCYCKOPX-UHFFFAOYSA-N
MW174.16 g/mol
LogP-0.70
Rot. Bonds

About 6-methylquinoxaline-2,3-dione

6-methylquinoxaline-2,3-dione (PubChem CID 19073526) has the molecular formula C9H6N2O2 and a molecular weight of 174.16 g/mol. Its IUPAC name is 6-methylquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-methylquinoxaline-2,3-dione
PubChem CID19073526
Molecular FormulaC9H6N2O2
Molecular Weight174.16 g/mol
Exact Mass174.04
IUPAC Name6-methylquinoxaline-2,3-dione
SMILESCc1ccc2c(c1)=NC(=O)C(=O)N=2
InChIInChI=1S/C9H6N2O2/c1-5-2-3-6-7(4-5)11-9(13)8(12)10-6/h2-4H,1H3
InChIKeyWPIXQURCYCKOPX-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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Related Compounds

Quinoxalinedione
CID 11469229
5-Fluoro-8-methyl quinoxaline-2,3-dione
CID 129884348
7-(trifluoromethyl)-3H-quinoxalin-2-one
CID 119057457
2,3-Dioxo-2,3-dihydroquinoxaline-6-carbonitrile
CID 17800807
Quinoxa-line-2,3-dione hydrochloride
CID 22073418
Quinoline-dione
CID 22262493
2,3-Dihydroquinolinone
CID 56625474
3-Oxochinoxalin
CID 57169914
6-Chloroquinoxaline-2,3-dione
CID 70258835
Carbonyl quinolinone
CID 71302596
6-(Trifluoromethyl)quinoxaline-2,3-dione
CID 54314193
3-fluoro-3H-quinolin-2-one
CID 119086068

Frequently Asked Questions

What is the IUPAC name of 6-methylquinoxaline-2,3-dione?
The IUPAC name of 6-methylquinoxaline-2,3-dione (CID 19073526) is 6-methylquinoxaline-2,3-dione.
What is the SMILES notation for 6-methylquinoxaline-2,3-dione?
The canonical SMILES for 6-methylquinoxaline-2,3-dione is Cc1ccc2c(c1)=NC(=O)C(=O)N=2.
What is the InChIKey of 6-methylquinoxaline-2,3-dione?
The InChIKey is WPIXQURCYCKOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O2/c1-5-2-3-6-7(4-5)11-9(13)8(12)10-6/h2-4H,1H3.
What are the key properties of 6-methylquinoxaline-2,3-dione?
6-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 6-methylquinoxaline-2,3-dione is sourced from PubChem (CID 19073526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).