Basic information
- Standard SMILES
COC(=O)c1cc(N2CCCc3ccccc3C2)nc2ccccc12- InChIKey
CHHFQHOWMCOCMM-UHFFFAOYSA-N- Molecular formula
- C21H20N2O2
- Average molar mass
- 332.4 g/mol
Names & identifiers
- Preferred name
- Methyl 2-(1,3,4,5-tetrahydro-2H-2-benzazepin-2-yl)quinoline-4-carboxylate
- IUPAC
- methyl 2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinoline-4-carboxylate
Names & synonyms
SCHEMBL14692247CHHFQHOWMCOCMM-UHFFFAOYSA-NMethyl 2-(1,3,4,5-tetrahydro-2H-2-benzazepin-2-yl)quinoline-4-carboxylate
Database identifiers
- PubChem CID
- 71255482
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 469
Related reactions
2 records
Compound notes
Loading…