Basic information
- Standard SMILES
COC(=O)c1cc(O[C@H](C)C(=O)OCc2ccccc2)c2ccc(C)cc2n1- InChIKey
RDBNNERMOUXEOB-OAHLLOKOSA-N- Molecular formula
- C22H21NO5
- Average molar mass
- 379.4 g/mol
- Monoisotopic mass
- 379.14197277
Names & identifiers
- Preferred name
- 4-((R)-1-Benzyloxycarbonyl-ethoxy)-7-methyl-quinoline-2-carboxylic acid methyl ester
- IUPAC
- methyl 7-methyl-4-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxyquinoline-2-carboxylate
Names & synonyms
SCHEMBL3330800RDBNNERMOUXEOB-OAHLLOKOSA-N4-((R)-1-Benzyloxycarbonyl-ethoxy)-7-methyl-quinoline-2-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 68599301
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 533
Related reactions
4 records
Compound notes
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