6-chloro-7-fluoro-1,4-dimethylquinoxaline-2,3-dione

C10H8ClFN2O2 — CID 171788088

IUPAC6-chloro-7-fluoro-1,4-dimethylquinoxaline-2,3-dione
SMILESCn1c(=O)c(=O)n(C)c2cc(Cl)c(F)cc21
InChIInChI=1S/C10H8ClFN2O2/c1-13-7-3-5(11)6(12)4-8(7)14(2)10(16)9(13)15/h3-4H,1-2H3
InChIKeyXLRRYRSEZLWTNQ-UHFFFAOYSA-N
MW242.64 g/mol
LogP1.03
Rot. Bonds

About 6-chloro-7-fluoro-1,4-dimethylquinoxaline-2,3-dione

6-chloro-7-fluoro-1,4-dimethylquinoxaline-2,3-dione (PubChem CID 171788088) has the molecular formula C10H8ClFN2O2 and a molecular weight of 242.64 g/mol. Its IUPAC name is 6-chloro-7-fluoro-1,4-dimethylquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-chloro-7-fluoro-1,4-dimethylquinoxaline-2,3-dione
PubChem CID171788088
Molecular FormulaC10H8ClFN2O2
Molecular Weight242.64 g/mol
Exact Mass242.03
IUPAC Name6-chloro-7-fluoro-1,4-dimethylquinoxaline-2,3-dione
SMILESCn1c(=O)c(=O)n(C)c2cc(Cl)c(F)cc21
InChIInChI=1S/C10H8ClFN2O2/c1-13-7-3-5(11)6(12)4-8(7)14(2)10(16)9(13)15/h3-4H,1-2H3
InChIKeyXLRRYRSEZLWTNQ-UHFFFAOYSA-N
XLogP1.03
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.64
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-chloro-7-fluoro-1,4-dimethylquinoxaline-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 6-chloro-7-fluoro-1,4-dimethylquinoxaline-2,3-dione?
The IUPAC name of 6-chloro-7-fluoro-1,4-dimethylquinoxaline-2,3-dione (CID 171788088) is 6-chloro-7-fluoro-1,4-dimethylquinoxaline-2,3-dione.
What is the SMILES notation for 6-chloro-7-fluoro-1,4-dimethylquinoxaline-2,3-dione?
The canonical SMILES for 6-chloro-7-fluoro-1,4-dimethylquinoxaline-2,3-dione is Cn1c(=O)c(=O)n(C)c2cc(Cl)c(F)cc21.
What is the InChIKey of 6-chloro-7-fluoro-1,4-dimethylquinoxaline-2,3-dione?
The InChIKey is XLRRYRSEZLWTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O2/c1-13-7-3-5(11)6(12)4-8(7)14(2)10(16)9(13)15/h3-4H,1-2H3.
What are the key properties of 6-chloro-7-fluoro-1,4-dimethylquinoxaline-2,3-dione?
6-chloro-7-fluoro-1,4-dimethylquinoxaline-2,3-dione has a molecular weight of 242.64 g/mol, XLogP of 1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-fluoro-1,4-dimethylquinoxaline-2,3-dione is sourced from PubChem (CID 171788088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).