Basic information
- Standard SMILES
Cc1cc(C)cc(C(=O)N2CCC(NCc3ccnc4ccccc34)CC2Cc2ccc(Cl)cc2)c1- InChIKey
ZMPABVVPVGDMMD-UHFFFAOYSA-N- Molecular formula
- C31H32ClN3O
- Average molar mass
- 498.1 g/mol
- Monoisotopic mass
- 497.2233903
Names & identifiers
- Preferred name
- [2-[(4-Chlorophenyl)methyl]-4-(quinolin-4-ylmethylamino)piperidin-1-yl]-(3,5-dimethylphenyl)methanone
- IUPAC
- [2-[(4-chlorophenyl)methyl]-4-(quinolin-4-ylmethylamino)piperidin-1-yl]-(3,5-dimethylphenyl)methanone
Names & synonyms
SCHEMBL8821381
Database identifiers
- PubChem CID
- 54555067
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 45.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 700
Related reactions
1 records
Compound notes
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