benzyl 2-cyano-6-methyl-2H-quinoline-1-carboxylate
Basic information
- CAS
40448-84-8- Standard SMILES
Cc1ccc2c(c1)C=CC(C#N)N2C(=O)OCc1ccccc1- InChIKey
CXBYECDFYGEJPB-UHFFFAOYSA-N- Molecular formula
- C19H16N2O2
- Average molar mass
- 304.3 g/mol
- Monoisotopic mass
- 304.12117776
Names & identifiers
- Preferred name
- benzyl 2-cyano-6-methyl-2H-quinoline-1-carboxylate
- IUPAC
- benzyl 2-cyano-6-methyl-2H-quinoline-1-carboxylate
Names & synonyms
40448-84-8benzyl 2-cyano-6-methyl-2H-quinoline-1-carboxylateNSC165896DTXSID50304489NSC-1658961(2H)-Quinolinecarboxylic acid, phenylmethyl esterbenzyl 2-cyano-6-methylquinoline-1(2H)-carboxylate
Database identifiers
- CAS
40448-84-8- PubChem CID
- 296104
- DTXSID
DTXSID50304489
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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