5-chloro-8-methylquinoxaline-2,3-dione

C9H5ClN2O2 — CID 21189966

IUPAC5-chloro-8-methylquinoxaline-2,3-dione
SMILESCc1ccc(Cl)c2c1=NC(=O)C(=O)N=2
InChIInChI=1S/C9H5ClN2O2/c1-4-2-3-5(10)7-6(4)11-8(13)9(14)12-7/h2-3H,1H3
InChIKeyFUKPXFBQDDXSGC-UHFFFAOYSA-N
MW208.60 g/mol
LogP-0.05
Rot. Bonds

About 5-chloro-8-methylquinoxaline-2,3-dione

5-chloro-8-methylquinoxaline-2,3-dione (PubChem CID 21189966) has the molecular formula C9H5ClN2O2 and a molecular weight of 208.60 g/mol. Its IUPAC name is 5-chloro-8-methylquinoxaline-2,3-dione.

Molecular Properties

Compound Name5-chloro-8-methylquinoxaline-2,3-dione
PubChem CID21189966
Molecular FormulaC9H5ClN2O2
Molecular Weight208.60 g/mol
Exact Mass208.00
IUPAC Name5-chloro-8-methylquinoxaline-2,3-dione
SMILESCc1ccc(Cl)c2c1=NC(=O)C(=O)N=2
InChIInChI=1S/C9H5ClN2O2/c1-4-2-3-5(10)7-6(4)11-8(13)9(14)12-7/h2-3H,1H3
InChIKeyFUKPXFBQDDXSGC-UHFFFAOYSA-N
XLogP-0.05
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.60
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 5-chloro-8-methylquinoxaline-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-methylquinoxaline-2,3-dione?
The IUPAC name of 5-chloro-8-methylquinoxaline-2,3-dione (CID 21189966) is 5-chloro-8-methylquinoxaline-2,3-dione.
What is the SMILES notation for 5-chloro-8-methylquinoxaline-2,3-dione?
The canonical SMILES for 5-chloro-8-methylquinoxaline-2,3-dione is Cc1ccc(Cl)c2c1=NC(=O)C(=O)N=2.
What is the InChIKey of 5-chloro-8-methylquinoxaline-2,3-dione?
The InChIKey is FUKPXFBQDDXSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2O2/c1-4-2-3-5(10)7-6(4)11-8(13)9(14)12-7/h2-3H,1H3.
What are the key properties of 5-chloro-8-methylquinoxaline-2,3-dione?
5-chloro-8-methylquinoxaline-2,3-dione has a molecular weight of 208.60 g/mol, XLogP of -0.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-methylquinoxaline-2,3-dione is sourced from PubChem (CID 21189966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).