Basic information
- Standard SMILES
Cc1ccc2c(N3CCN(CCc4cccc(N5C(=O)c6cccc(F)c6C5=O)c4)CC3)cccc2n1- InChIKey
GFRUQXBVJLWKDV-UHFFFAOYSA-N- Molecular formula
- C30H27FN4O2
- Average molar mass
- 494.6 g/mol
Names & identifiers
- Preferred name
- 4-fluoro-2-(3-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}phenyl)-1H-isoindole-1,3(2H)-dione
- IUPAC
- 4-fluoro-2-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]isoindole-1,3-dione
Names & synonyms
SCHEMBL2883577GFRUQXBVJLWKDV-UHFFFAOYSA-N4-fluoro-2-(3-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}phenyl)-1 H-isoindole-1,3(2H)-dione4-fluoro-2-(3-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}phenyl)-1H-isoindole-1,3(2H)-dione
Database identifiers
- PubChem CID
- 68427408
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 832
Related reactions
4 records
Compound notes
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