5-(p-Fluorophenoxy)-6-methoxy-8-(4-amino-1-methylbutylamino)quinoline
Basic information
- CAS
63460-48-0- Standard SMILES
COc1cc(NC(C)CCCN)c2ncccc2c1Oc1ccc(F)cc1- InChIKey
QTXLEODRGPCXHU-UHFFFAOYSA-N- Molecular formula
- C21H24FN3O2
- Average molar mass
- 369.4 g/mol
- Monoisotopic mass
- 369.18525518
Names & identifiers
- Preferred name
- 5-(p-Fluorophenoxy)-6-methoxy-8-(4-amino-1-methylbutylamino)quinoline
- IUPAC
- 4-N-[5-(4-fluorophenoxy)-6-methoxyquinolin-8-yl]pentane-1,4-diamine
Names & synonyms
63460-48-0WR 2161005-(p-Fluorophenoxy)-6-methoxy-8-(4-amino-1-methylbutylamino)quinoline1,4-Pentanediamine, N4-(5-(4-fluorophenoxy)-6-methoxy-8-quinolinyl)-4-N-[5-(4-fluorophenoxy)-6-methoxyquinolin-8-yl]pentane-1,4-diamineM-7844CHEMBL417983orb1694849DTXSID50979696AKOS040754427T35138N~4~-[5-(4-Fluorophenoxy)-6-methoxyquinolin-8-yl]pentane-1,4-diamine
Database identifiers
- CAS
63460-48-0- PubChem CID
- 182707
- DTXSID
DTXSID50979696- ChEMBL
CHEMBL417983
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 434
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Compound notes
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