Basic information
- Standard SMILES
NC1CC(Oc2cc3ccnc(OCc4ccccc4)c3cc2Cl)C1- InChIKey
GQRLTNRMEBALLJ-UHFFFAOYSA-N- Molecular formula
- C20H19ClN2O2
- Average molar mass
- 354.8 g/mol
Names & identifiers
- Preferred name
- 3-(1-Benzyloxy-7-chloro-isoquinolin-6-yloxy)-cyclobutylamine
- IUPAC
- 3-(7-chloro-1-phenylmethoxyisoquinolin-6-yl)oxycyclobutan-1-amine
Names & synonyms
SCHEMBL3214648GQRLTNRMEBALLJ-UHFFFAOYSA-N3-(1-Benzyloxy-7-chloro-isoquinolin-6-yloxy)-cyclobutylamine
Database identifiers
- PubChem CID
- 59224840
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 57.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 426
Related reactions
3 records
Compound notes
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