Basic information
- Standard SMILES
CCOC(=O)c1cnc2ccc(N3CCN(C)CC3)cc2c1Nc1ccc(F)cc1F- InChIKey
OTIIXIXXEHTAQF-UHFFFAOYSA-N- Molecular formula
- C23H24F2N4O2
- Average molar mass
- 426.5 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-[(2,4-difluorophenyl)amino]-6-(4-methylpiperazin-1-yl)quinoline-3-carboxylate
- IUPAC
- ethyl 4-(2,4-difluoroanilino)-6-(4-methylpiperazin-1-yl)quinoline-3-carboxylate
Names & synonyms
SCHEMBL2911389ethyl 4-[(2,4-difluorophenyl)amino]-6-(4-methylpiperazin-1-yl)quinoline-3-carboxylate953803-99-1DB-334206
Database identifiers
- PubChem CID
- 68437801
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 604
Related reactions
1 records
Compound notes
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