Basic information
- Standard SMILES
CN(C)[C@@H]1CCN(c2ccc(N3CCc4cc(O)ccc4C3=O)cc2F)C1- InChIKey
KDFZTMHSCOYSKY-MRXNPFEDSA-N- Molecular formula
- C21H24FN3O2
- Average molar mass
- 369.4 g/mol
Names & identifiers
- Preferred name
- 2-[4-((R)-3-Dimethylaminopyrrolidin-1-yl)-3-fluorophenyl]-6-hydroxy-3,4-dihydro-2H-isoquinolin-1-one
- IUPAC
- 2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-fluorophenyl]-6-hydroxy-3,4-dihydroisoquinolin-1-one
Names & synonyms
SCHEMBL4287520KDFZTMHSCOYSKY-MRXNPFEDSA-N2-[4-((R)-3-Dimethylaminopyrrolidin-1-yl)-3-fluorophenyl]-6-hydroxy-3,4-dihydro-2H-isoquinolin-1-one
Database identifiers
- PubChem CID
- 68987983
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 47 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 546
Related reactions
2 records
Compound notes
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