Basic information
- Standard SMILES
O=C(OCc1ccccc1)N1CCCC(=NN2CCCc3ccccc32)CC1- InChIKey
CPVMNDJNIFRACQ-UHFFFAOYSA-N- Molecular formula
- C23H27N3O2
- Average molar mass
- 377.5 g/mol
Names & identifiers
- Preferred name
- benzyl 4-[3,4-dihydro-1(2H)-quinolinylimino]-1-azepanecarboxylate
- IUPAC
- benzyl 4-(3,4-dihydro-2H-quinolin-1-ylimino)azepane-1-carboxylate
Names & synonyms
SCHEMBL6482555CPVMNDJNIFRACQ-UHFFFAOYSA-Nbenzyl 4-[3,4-dihydro-1 (2H)-quinolinylimino]-1-azepanecarboxylatebenzyl 4-[3,4-dihydro-1(2H)-quinolinylimino]-1-azepanecarboxylate
Database identifiers
- PubChem CID
- 72777072
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 45.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 544
Related reactions
3 records
Compound notes
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