Basic information
- Standard SMILES
CCOC(=O)c1nn(Cc2ccc(C)nc2)c2c(Cl)cccc2c1=O- InChIKey
GZVWOXNNCWWCKC-UHFFFAOYSA-N- Molecular formula
- C18H16ClN3O3
- Average molar mass
- 357.8 g/mol
Names & identifiers
- Preferred name
- Ethyl 8-chloro-1-[(6-methylpyridin-3-yl)methyl]-4-oxo-1,4-dihydrocinnoline-3-carboxylate
- IUPAC
- ethyl 8-chloro-1-[(6-methyl-3-pyridinyl)methyl]-4-oxocinnoline-3-carboxylate
Names & synonyms
SCHEMBL14875726GZVWOXNNCWWCKC-UHFFFAOYSA-Nethyl 8-chloro-1-[(6-methylpyridin-3-yl)methyl]-4-oxo-1,4-dihydrocinnoline-3-carboxylate
Database identifiers
- PubChem CID
- 86660002
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 554
Related reactions
3 records
Compound notes
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