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Basic information
- Standard SMILES
C[C@@H]1CN(c2ccc3ccccc3n2)C[C@H](C)N1CCCCC1(C(=O)NCc2ccc(F)cc2)c2ccccc2-c2ccccc21- InChIKey
QRGIWKMLCVMFNV-ISILISOKSA-N- Molecular formula
- C40H41FN4O
- Average molar mass
- 612.8 g/mol
- Monoisotopic mass
- 612.32644011
Names & identifiers
- Preferred name
- 9-[4-(cis-2,6-dimethyl-4-quinolin-2-yl-piperazin-1-yl) butyl]-9H-fluorene-9-carboxylic Acid-4-fluoro-benzylamide
- IUPAC
- 9-[4-[(2S,6R)-2,6-dimethyl-4-quinolin-2-ylpiperazin-1-yl]butyl]-N-[(4-fluorophenyl)methyl]fluorene-9-carboxamide
Names & synonyms
SCHEMBL6771750QRGIWKMLCVMFNV-ISILISOKSA-N9-[4-(cis-2,6-dimethyl-4-quinolin-2-yl-piperazin-1-yl) butyl]-9H-fluorene-9-carboxylic Acid-4-fluoro-benzylamide
Database identifiers
- PubChem CID
- 69891750
Properties
Computed structural propertiesFilling in
- XLogP
- 8.1
- Topological polar surface area
- 48.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 966
Related reactions
1 records
Compound notes
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