bulaquine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 77
Total Number of Articles : 90
PubChem 9831444
Molecular Formula

C21H27N3O3

SMILES

CC(CCCN/C(=C\1/CCOC1=O)/C)NC2=C3C(=CC(=C2)OC)C=CC=N3

InChI

InChI=1S/C21H27N3O3/c1-14(6-4-9-22-15(2)18-8-11-27-21(18)25)24-19-13-17(26-3)12-16-7-5-10-23-20(16)19/h5,7,10,12-14,22,24H,4,6,8-9,11H2,1-3H3/b18-15-

synonyms
  • Bulaquine
  • 79781-00-3
  • Aablaquine
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Properties
Property Value
MW 369.5 g/mol
HBD 2
HBA 6
Rotatable Bond Count 8
Exact Mass 369.20524173 g/mol
Monoisotopic Mass 369.20524173 g/mol
Heavy Atom Count 27
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 537
xlogp 4.4
Topological Polar Surface Area 72.5