Basic information
- CAS
61190-19-0- Standard SMILES
COc1cc2cncc(Cc3cccc(F)c3)c2cc1OC- InChIKey
BJCJVRNFTJXZSH-UHFFFAOYSA-N- Molecular formula
- C18H16FNO2
- Average molar mass
- 297.3 g/mol
- Monoisotopic mass
- 297.11650692
Names & identifiers
- Preferred name
- 4-(3-Fluorobenzyl)-6,7-dimethoxyisoquinoline
- IUPAC
- 4-[(3-fluorophenyl)methyl]-6,7-dimethoxyisoquinoline
Names & synonyms
4-(3-fluorobenzyl)-6,7-dimethoxyisoquinoline61190-19-04-[(3-fluorophenyl)methyl]-6,7-dimethoxyisoquinolineDTXSID70275384
Database identifiers
- CAS
61190-19-0- PubChem CID
- 36263
- DTXSID
DTXSID70275384
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 31.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 354
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…