Basic information
- Standard SMILES
CCCCOc1ccc2c(c1)CCN(c1ccc(N3CC[C@@H](NC)C3)c(F)c1)C2=O- InChIKey
ZADYEFCOFCVSCC-GOSISDBHSA-N- Molecular formula
- C24H30FN3O2
- Average molar mass
- 411.5 g/mol
Names & identifiers
- Preferred name
- 6-Butoxy-2-[3-fluoro-4-((R)-3-methylaminopyrrolidin-1-yl)phenyl]-3,4-dihydro-2H-isoquinolin-1-one
- IUPAC
- 6-butoxy-2-[3-fluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]-3,4-dihydroisoquinolin-1-one
Names & synonyms
SCHEMBL4294564ZADYEFCOFCVSCC-GOSISDBHSA-N6-Butoxy-2-[3-fluoro-4-((R)-3-methylaminopyrrolidin-1-yl)phenyl]-3,4-dihydro-2H-isoquinolin-1-one
Database identifiers
- PubChem CID
- 24859577
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 577
Related reactions
2 records
Compound notes
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