5-Allyloxy-7-(4-fluoro-benzyl)-9-methoxymethoxy-pyrrolo[3,4-g]quinoline-6,8-dione
Basic information
- Standard SMILES
C=CCOc1c2c(c(OCOC)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2=O- InChIKey
YZLLSWJBCMWNMV-UHFFFAOYSA-N- Molecular formula
- C23H19FN2O5
- Average molar mass
- 422.4 g/mol
- Monoisotopic mass
- 422.12779987
Names & identifiers
- Preferred name
- 5-Allyloxy-7-(4-fluoro-benzyl)-9-methoxymethoxy-pyrrolo[3,4-g]quinoline-6,8-dione
- IUPAC
- 7-[(4-fluorophenyl)methyl]-9-(methoxymethoxy)-5-prop-2-enoxypyrrolo[3,4-g]quinoline-6,8-dione
Names & synonyms
SCHEMBL4159291YZLLSWJBCMWNMV-UHFFFAOYSA-N5-Allyloxy-7-(4-fluoro-benzyl)-9-methoxymethoxy-pyrrolo[3,4-g]quinoline-6,8-dione
Database identifiers
- PubChem CID
- 58928958
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 78 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 668
Related reactions
4 records
Compound notes
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