Basic information
- Standard SMILES
CCCCc1nccc2ccc(C(=O)OC)cc12- InChIKey
JNJIQNOLXDFTAA-UHFFFAOYSA-N- Molecular formula
- C15H17NO2
- Average molar mass
- 243.3 g/mol
Names & identifiers
- Preferred name
- Methyl 1-butylisoquinoline-7-carboxylate
- IUPAC
- methyl 1-butylisoquinoline-7-carboxylate
Names & synonyms
SCHEMBL3357348JNJIQNOLXDFTAA-UHFFFAOYSA-Nmethyl 1-butylisoquinoline-7-carboxylate
Database identifiers
- PubChem CID
- 21086138
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 280
Related reactions
3 records
Compound notes
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