ethyl 6-amino-2-(chloromethyl)-4-(2-chloro-7-methylquinolin-3-yl)-5-cyano-4H-pyran-3-carboxylate
Basic information
- CAS
335398-81-7- Standard SMILES
CCOC(=O)C1=C(CCl)OC(N)=C(C#N)C1c1cc2ccc(C)cc2nc1Cl- InChIKey
FYZMPDNGNGILBY-UHFFFAOYSA-N- Molecular formula
- C20H17Cl2N3O3
- Average molar mass
- 418.3 g/mol
- Monoisotopic mass
- 417.0646968
Names & identifiers
- Preferred name
- ethyl 6-amino-2-(chloromethyl)-4-(2-chloro-7-methylquinolin-3-yl)-5-cyano-4H-pyran-3-carboxylate
- IUPAC
- ethyl 6-amino-2-(chloromethyl)-4-(2-chloro-7-methylquinolin-3-yl)-5-cyano-4H-pyran-3-carboxylate
Names & synonyms
DTXSID601116408AKOS000589356AKOS030485068335398-81-7Ethyl 6-amino-2-(chloromethyl)-4-(2-chloro-7-methyl-3-quinolinyl)-5-cyano-4H-pyran-3-carboxylateethyl 6-amino-2-(chloromethyl)-4-(2-chloro-7-methylquinolin-3-yl)-5-cyano-4H-pyran-3-carboxylateST51201244ETHYL 6-AMINO-4-(2-CHLORO-7-METHYLQUINOLIN-3-YL)-2-(CHLOROMETHYL)-5-CYANO-4H-PYRAN-3-CARBOXYLATE
Database identifiers
- CAS
335398-81-7- PubChem CID
- 3140971
- DTXSID
DTXSID601116408
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 742
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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