Basic information
- Standard SMILES
CCOC(=O)C1CN(C2CC2)c2nc3cc(F)c(F)cc3cc2C1=O- InChIKey
KUIDRUJJKNXXJH-UHFFFAOYSA-N- Molecular formula
- C18H16F2N2O3
- Average molar mass
- 346.3 g/mol
- Monoisotopic mass
- 346.1128987
Names & identifiers
- Preferred name
- 3-Ethoxycarbonyl-7,8-difluoro-1-cyclopropyl-4-oxo-1,2,3,4-tetrahydrobenzo[b][1,8]naphthyridine
- IUPAC
- ethyl 1-cyclopropyl-7,8-difluoro-4-oxo-2,3-dihydrobenzo[b][1,8]naphthyridine-3-carboxylate
Names & synonyms
SCHEMBL9096765KUIDRUJJKNXXJH-UHFFFAOYSA-N3-ethoxycarbonyl-7,8-difluoro-1-cyclopropyl-4-oxo-1,2,3,4-tetrahydrobenzo[b][1,8]naphthyridine
Database identifiers
- PubChem CID
- 18994589
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 59.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 556
Related reactions
3 records
Compound notes
Loading…