Basic information
- Standard SMILES
COC(=O)c1ccc2ccn(CCCc3ccc(Cl)cc3)c(=O)c2c1- InChIKey
BJWYVSVGDGCQKD-UHFFFAOYSA-N- Molecular formula
- C20H18ClNO3
- Average molar mass
- 355.8 g/mol
Names & identifiers
- Preferred name
- Methyl 2-[3-(4-chlorophenyl)propyl]-1-oxo-1,2-dihydroisoquinoline-7-carboxylate
- IUPAC
- methyl 2-[3-(4-chlorophenyl)propyl]-1-oxoisoquinoline-7-carboxylate
Names & synonyms
SCHEMBL2118398BJWYVSVGDGCQKD-UHFFFAOYSA-Nmethyl 2-[3-(4-chlorophenyl)propyl]-1-oxo-1,2-dihydroisoquinoline-7-carboxylate
Database identifiers
- PubChem CID
- 67282807
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 513
Related reactions
1 records
Compound notes
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