[2-Benzyl-4-(quinolin-4-ylmethylamino)piperidin-1-yl]-(2-chlorophenyl)methanone
Basic information
- Standard SMILES
O=C(c1ccccc1Cl)N1CCC(NCc2ccnc3ccccc23)CC1Cc1ccccc1- InChIKey
BFTNGPWIAXYGDV-UHFFFAOYSA-N- Molecular formula
- C29H28ClN3O
- Average molar mass
- 470 g/mol
- Monoisotopic mass
- 469.1920902
Names & identifiers
- Preferred name
- [2-Benzyl-4-(quinolin-4-ylmethylamino)piperidin-1-yl]-(2-chlorophenyl)methanone
- IUPAC
- [2-benzyl-4-(quinolin-4-ylmethylamino)piperidin-1-yl]-(2-chlorophenyl)methanone
Names & synonyms
SCHEMBL8821721
Database identifiers
- PubChem CID
- 53679752
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 45.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 653
Related reactions
1 records
Compound notes
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