Basic information
- CAS
62334-31-0- Standard SMILES
COc1cc2c(Cc3ccc(Cl)cc3)cnc(Cc3ccccc3)c2cc1OC- InChIKey
QFSYPUUAQODKGQ-UHFFFAOYSA-N- Molecular formula
- C25H22ClNO2
- Average molar mass
- 403.9 g/mol
- Monoisotopic mass
- 403.1339066
Names & identifiers
- Preferred name
- 1-Benzyl-4-(4-chlorobenzyl)-6,7-dimethoxyisoquinoline
- IUPAC
- 1-benzyl-4-[(4-chlorophenyl)methyl]-6,7-dimethoxyisoquinoline
Names & synonyms
1-benzyl-4-(4-chlorobenzyl)-6,7-dimethoxyisoquinoline62334-31-01-benzyl-4-[(4-chlorophenyl)methyl]-6,7-dimethoxyisoquinolineDTXSID50275463
Database identifiers
- CAS
62334-31-0- PubChem CID
- 44002
- DTXSID
DTXSID50275463
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 31.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 489
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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