Basic information
- CAS
17718-19-3- Standard SMILES
O=C(OCc1ccccc1)N1CC=Cc2ccccc21- InChIKey
NXWWSYGSSAHNRR-UHFFFAOYSA-N- Molecular formula
- C17H15NO2
- Average molar mass
- 265.31 g/mol
- Monoisotopic mass
- 265.11027872
Names & identifiers
- Preferred name
- 1(2H)-Quinolinecarboxylic acid, benzyl ester
- IUPAC
- benzyl 2H-quinoline-1-carboxylate
- English name
- 1(2H)-Quinolinecarboxylic acid benzyl ester
- Molecular formula
- C17H15NO2
- Molecular weight
- 265.31
Names & synonyms
17718-19-31(2H)-Quinolinecarboxylic acid, benzyl esterDTXSID70170264RefChem:1051449DTXCID9092755Benzyl 1(2H)-quinolinecarboxylatebenzyl 2H-quinoline-1-carboxylateBRN 12901951(2H)-Quinolinecarboxylic acid benzyl esterSCHEMBL28802473Benzyl quinoline-1(2H)-carboxylate1(2H)-Quinolinecarboxylic acid, phenylmethyl ester
Database identifiers
- CAS
17718-19-3- PubChem CID
- 87267
- DTXSID
DTXSID70170264- Nikkaji
- J48.210B
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 360
Physicochemical properties
- Boiling point
- 411.9 · 411.9±35.0 °C(Predicted)
- Density
- 1.211 · 1.211±0.06 g/cm3(Predicted)
- pka
- 0.47 · 0.47±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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