Basic information
- Standard SMILES
CCOC(=O)c1cnc2cc(OCC)c(Br)cc2c1Nc1ccc(F)cc1F- InChIKey
ZWKCDYODOQIBOO-UHFFFAOYSA-N- Molecular formula
- C20H17BrF2N2O3
- Average molar mass
- 451.3 g/mol
- Monoisotopic mass
- 450.03906
Names & identifiers
- Preferred name
- Ethyl 6-bromo-4-[(2,4-difluorophenyl)amino]-7-ethoxyquinoline-3-carboxylate
- IUPAC
- ethyl 6-bromo-4-(2,4-difluoroanilino)-7-ethoxyquinoline-3-carboxylate
Names & synonyms
SCHEMBL2912817ethyl 6-bromo-4-[(2,4-difluorophenyl)amino]-7-ethoxyquinoline-3-carboxylate953802-78-3DB-319507
Database identifiers
- PubChem CID
- 25112109
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 530
Related reactions
1 records
Linked notes
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