N-[2-[2-[(7-Chloroquinolin-4-yl)amino]ethyl-ethylamino]ethyl]-perfluorobutanamide
Basic information
- Standard SMILES
CCN(CCNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCNc1ccnc2cc(Cl)ccc12- InChIKey
YKESVEXHXUOVQS-UHFFFAOYSA-N- Molecular formula
- C19H20ClF7N4O
- Average molar mass
- 488.8 g/mol
- Monoisotopic mass
- 488.1213861
Names & identifiers
- Preferred name
- N-[2-[2-[(7-Chloroquinolin-4-yl)amino]ethyl-ethylamino]ethyl]-perfluorobutanamide
- IUPAC
- N-[2-[2-[(7-chloroquinolin-4-yl)amino]ethyl-ethylamino]ethyl]-2,2,3,3,4,4,4-heptafluorobutanamide
Names & synonyms
CHEMBL468057SCHEMBL12859183DTXSID501348319N-[2-[2-[(7-Chloroquinolin-4-yl)amino]ethyl-ethylamino]ethyl]-perfluorobutanamide
Database identifiers
- PubChem CID
- 44544472
- DTXSID
DTXSID501348319- ChEMBL
CHEMBL468057
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 57.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 623
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Related reactions
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Compound notes
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