Basic information
- CAS
62334-39-8- Standard SMILES
COc1cc2cnc(C)c(Cc3ccc(Cl)cc3)c2cc1OC- InChIKey
ROKYUKQLCDHHNG-UHFFFAOYSA-N- Molecular formula
- C19H18ClNO2
- Average molar mass
- 327.8 g/mol
- Monoisotopic mass
- 327.1026065
Names & identifiers
- Preferred name
- 4-(4-Chlorobenzyl)-6,7-dimethoxy-3-methylisoquinoline
- IUPAC
- 4-[(4-chlorophenyl)methyl]-6,7-dimethoxy-3-methylisoquinoline
Names & synonyms
62334-39-84-(4-chlorobenzyl)-6,7-dimethoxy-3-methylisoquinoline4-[(4-chlorophenyl)methyl]-6,7-dimethoxy-3-methylisoquinolineDTXSID10275464Isoquinoline, 4-[(4-chlorophenyl)methyl]-6,7-dimethoxy-3-methyl-
Database identifiers
- CAS
62334-39-8- PubChem CID
- 44004
- DTXSID
DTXSID10275464
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 31.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 372
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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