Basic information
- Standard SMILES
CCCCNC(=O)C1(CCCCN2CCN(c3ccc4ccccc4n3)CC2)c2ccccc2Oc2ccccc21- InChIKey
LKBPEMXQWWVDMS-UHFFFAOYSA-N- Molecular formula
- C35H40N4O2
- Average molar mass
- 548.7 g/mol
Names & identifiers
- Preferred name
- 9-[4-(4-quinolin-2-yl-piperazin-1-yl)-butyl]-9H-xanthene-9-carboxylic Acid-Butylamide
- IUPAC
- N-butyl-9-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]xanthene-9-carboxamide
Names & synonyms
SCHEMBL6770730LKBPEMXQWWVDMS-UHFFFAOYSA-N9-[4-(4-quinolin-2-yl-piperazin-1-yl)-butyl]-9H-xanthene-9-carboxylic Acid-Butylamide
Database identifiers
- PubChem CID
- 22636282
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 807
Related reactions
2 records
Compound notes
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