8-Quinolinecarboxylic acid, phenylmethyl ester
Basic information
- CAS
134959-55-0- Standard SMILES
O=C(OCc1ccccc1)c1cccc2cccnc12- InChIKey
ZKCLHWMJUNNHHE-UHFFFAOYSA-N- Molecular formula
- C17H13NO2
- Average molar mass
- 263.29 g/mol
- Monoisotopic mass
- 263.09462866
Names & identifiers
- Preferred name
- 8-Quinolinecarboxylic acid, phenylmethyl ester
- IUPAC
- benzyl quinoline-8-carboxylate
Names & synonyms
8-Quinolinecarboxylic acid, phenylmethyl ester134959-55-0benzyl quinoline-8-carboxylateCCRIS 696484EBG4BUE4SCHEMBL22918322DTXSID10159159Phenylmethyl 8-quinolinecarboxylate
Database identifiers
- CAS
134959-55-0- PubChem CID
- 154453
- DTXSID
DTXSID10159159- UNII
- 84EBG4BUE4
- Nikkaji
- J363.951G
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 325
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…