Basic information
- Standard SMILES
Cc1cc(-c2cc3c(cc2F)c(=O)c2c(=O)[nH]sc2n3C2CC2)cc(C)n1- InChIKey
CPWIIFYGKOXEBI-UHFFFAOYSA-N- Molecular formula
- C20H16FN3O2S
- Average molar mass
- 381.4 g/mol
Names & identifiers
- Preferred name
- 9-cyclopropyl-7-(2,6-dimethylpyridin-4-yl)-6-fluoroisothiazolo[5,4-b]quinoline-3,4(2H,9H)-dione
- IUPAC
- 9-cyclopropyl-7-(2,6-dimethyl-4-pyridinyl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
Names & synonyms
CHEMBL383328SCHEMBL589176CPWIIFYGKOXEBI-UHFFFAOYSA-NBDBM501788799-CYCLOPROPYL-7-(2,6-DIMETHYL-PYRIDIN-4-YL)-6-FLUORO-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONE9-cyclopropyl-7-(2,6-dimethylpyridin-4-yl)-6-fluoroisothiazolo[5,4-b]quinoline-3,4(2H,9H)-dione
Database identifiers
- PubChem CID
- 11675331
- ChEMBL
CHEMBL383328
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 87.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 699
Related reactions
1 records
Compound notes
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