Free Chemical Databases
-
[Synonyms]
NCIOpen2_007574
NSC56628
6633-02-9
[Structure]
[ Properties Computed from Structure]
Molecular Weight 329.47964 [g/mol] Molecular Formula C20H31N3O XLogP 4 H-Bond Donor 2 H-Bond Acceptor 4 Rotatable Bond Count 10 Exact Mass 329.246713 MonoIsotopic Mass 329.246713 Topological Polar Surface Area 46.2 Heavy Atom Count 24 Formal Charge 0 Complexity 348 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: N'-(6-methoxyquinolin-8-yl)-N-(2-methylbutan-2-yl)pentane-1,5-diamine
Canonical SMILES: CCC(C)(C)NCCCCCNC1=C2C(=CC(=C1)OC)C=CC=N2
InChI: InChI=1/C20H31N3O/c1-5-20(2,
3)23-13-8-6-7-11-21-18-15-17(24-4)14-16-10-9-12-22-19(16)18/h9-10,12,
14-15,21,23H,5-8,11,13H2,1-4H3
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