5-fluoranyl-1-(3-methylbutyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine trihydrate

Systemtic Name: 5-fluoranyl-1-(3-methylbutyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine trihydrate Openeye Name: 5-fluoro-1-isopentyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine trihydrate CAS Name: 5-fluoro-1-(3-methylbutyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine trihydrate IUPAC Name: 5-fluoro-1-(3-methylbutyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine trihydrate Traditional Name: (5-fluoro-1-isoamyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)amine trihydrate Formula: C16H26FN3O3 MolecularWeight: 327.394343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1CCC2=C(C3=C(C=CC=C3F)N=C21)N.O.O.O

Isomeric SMILES

CC(C)CCN1CCC2=C(C3=C(C=CC=C3F)N=C21)N.O.O.O

InChI

InChI=1S/C16H20FN3.3H2O/c1-10(2)6-8-20-9-7-11-15(18)14-12(17)4-3-5-13(14)19-16(11)20;;;/h3-5,10H,6-9H2,1-2H3,(H2,18,19);3*1H2