Basic information
- Standard SMILES
CCOC(=O)c1cn(CC)c2cc(-c3cccnc3)ccc2c1=O- InChIKey
WONDRWZYVICMDM-UHFFFAOYSA-N- Molecular formula
- C19H18N2O3
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.13174244
Names & identifiers
- Preferred name
- Ethyl 1,4-dihydro-1-ethyl-7-(3-pyridinyl)4-oxo-3-quinolinecarboxylate
- IUPAC
- ethyl 1-ethyl-4-oxo-7-pyridin-3-ylquinoline-3-carboxylate
Names & synonyms
SCHEMBL10474392WONDRWZYVICMDM-UHFFFAOYSA-Nethyl 1,4-dihydro-1-ethyl-7-(3-pyridinyl)4-oxo-3-quinolinecarboxylate
Database identifiers
- PubChem CID
- 21790907
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 59.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 517
Related reactions
2 records
Compound notes
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