Basic information
- CAS
81803-40-9- Standard SMILES
CCOC(=O)c1cc2ccccc2c(-c2ccccc2)n1- InChIKey
BJFPYRGLZWUDLP-UHFFFAOYSA-N- Molecular formula
- C18H15NO2
- Average molar mass
- 277.3 g/mol
- Monoisotopic mass
- 277.11027872
Names & identifiers
- Preferred name
- Ethyl 1-phenylisoquinoline-3-carboxylate
- IUPAC
- ethyl 1-phenylisoquinoline-3-carboxylate
Names & synonyms
Ethyl 1-phenylisoquinoline-3-carboxylateDTXSID60512614RefChem:342094DTXCID7046342181803-40-9SCHEMBL10990045
Database identifiers
- CAS
81803-40-9- PubChem CID
- 12904652
- DTXSID
DTXSID60512614- Nikkaji
- J793.283I
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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