Basic information
- Standard SMILES
N#Cc1ccc(CCC(=O)N2CCCc3cc(NCc4ccccc4)ccc32)cc1- InChIKey
GTTDTSQYIIUDCK-UHFFFAOYSA-N- Molecular formula
- C26H25N3O
- Average molar mass
- 395.5 g/mol
Names & identifiers
- Preferred name
- 1-[3-(4-Cyano-phenyl)-propionyl]-6-benzylamino-1,2,3,4-tetrahydro-quinoline
- IUPAC
- 4-[3-[6-(benzylamino)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]benzonitrile
Names & synonyms
SCHEMBL6976631GTTDTSQYIIUDCK-UHFFFAOYSA-N1-[3-(4-cyano-phenyl)-propionyl]-6-benzylamino-1,2,3,4-tetrahydro-quinoline
Database identifiers
- PubChem CID
- 15410779
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 56.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 597
Related reactions
2 records
Compound notes
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