Basic information
- Standard SMILES
COCCCc1ccc(-c2cc3ccccc3c(Cl)n2)cc1- InChIKey
GCPVHYCYYGDABZ-UHFFFAOYSA-N- Molecular formula
- C19H18ClNO
- Average molar mass
- 311.8 g/mol
Names & identifiers
- Preferred name
- 1-Chloro-3-[4-(3-methoxypropyl)phenyl]isoquinoline
- IUPAC
- 1-chloro-3-[4-(3-methoxypropyl)phenyl]isoquinoline
Names & synonyms
SCHEMBL4769607GCPVHYCYYGDABZ-UHFFFAOYSA-N1-chloro-3-[4-(3-methoxypropyl)phenyl]isoquinoline
Database identifiers
- PubChem CID
- 22503564
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 22.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 329
Related reactions
4 records
Compound notes
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