Basic information
- Standard SMILES
COC(=O)c1cc(F)ccc1Nc1ccnc2cc(Cl)ccc12- InChIKey
LYEAUCRITXBJTG-UHFFFAOYSA-N- Molecular formula
- C17H12ClFN2O2
- Average molar mass
- 330.7 g/mol
Names & identifiers
- Preferred name
- Methyl 2-(7-chloro-4-quinolinylamino)-5-fluoro-benzoate
- IUPAC
- methyl 2-[(7-chloroquinolin-4-yl)amino]-5-fluorobenzoate
Names & synonyms
SCHEMBL11463989LYEAUCRITXBJTG-UHFFFAOYSA-Nmethyl 2-(7-chloro-4-quinolinylamino)-5-fluoro-benzoate
Database identifiers
- PubChem CID
- 23331682
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 425
Related reactions
3 records
Compound notes
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