Basic information
- Standard SMILES
Cl.O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc2nc(N3CCCCC3)ccc2c1- InChIKey
VTJBCCNCUREBTJ-AWFSDRIXSA-N- Molecular formula
- C23H23Cl2N3O
- Average molar mass
- 428.4 g/mol
- Monoisotopic mass
- 427.1218178
Names & identifiers
- Preferred name
- (2E)-3-(4-chlorophenyl)-N-(2-piperidin-1-ylquinolin-6-yl)prop-2-enamide hydrochloride
- IUPAC
- (E)-3-(4-chlorophenyl)-N-(2-piperidin-1-ylquinolin-6-yl)prop-2-enamide;hydrochloride
Names & synonyms
SCHEMBL5873477VTJBCCNCUREBTJ-AWFSDRIXSA-N(2E)-3-(4-chlorophenyl)-N-(2-piperidin-1-ylquinolin-6-yl)prop-2-enamide hydrochloride
Database identifiers
- PubChem CID
- 22018962
Properties
Computed structural properties
- Topological polar surface area
- 45.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 540
Related reactions
1 records
Compound notes
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