1-Chloro-4-phenyl-isoquinoline-3-carboxylic acid ethyl ester
Basic information
- Standard SMILES
CCOC(=O)c1nc(Cl)c2ccccc2c1-c1ccccc1- InChIKey
QGANRSROTWBEKI-UHFFFAOYSA-N- Molecular formula
- C18H14ClNO2
- Average molar mass
- 311.8 g/mol
Names & identifiers
- Preferred name
- 1-Chloro-4-phenyl-isoquinoline-3-carboxylic acid ethyl ester
- IUPAC
- ethyl 1-chloro-4-phenylisoquinoline-3-carboxylate
Names & synonyms
SCHEMBL522736QGANRSROTWBEKI-UHFFFAOYSA-N1-Chloro-4-phenyl-isoquinoline-3-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 86014602
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 383
Related reactions
9 records
Compound notes
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