Basic information
- Standard SMILES
O=C(O)c1cc(-c2ccc(CN3CCOCC3)cc2Cl)nc2ccc(F)cc12- InChIKey
INCKPIMKXRDZQL-UHFFFAOYSA-N- Molecular formula
- C21H18ClFN2O3
- Average molar mass
- 400.8 g/mol
Names & identifiers
- Preferred name
- 2-(2-Chloro-4-(morpholinomethyl)phenyl)-6-fluoroquinoline-4-carboxylic acid
- IUPAC
- 2-[2-chloro-4-(morpholin-4-ylmethyl)phenyl]-6-fluoroquinoline-4-carboxylic acid
Names & synonyms
SCHEMBL15321783INCKPIMKXRDZQL-UHFFFAOYSA-N2-(2-chloro-4-(morpholinomethyl)phenyl)-6-fluoroquinoline-4-carboxylic acid
Database identifiers
- PubChem CID
- 89853560
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 548
Related reactions
2 records
Compound notes
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