Zinc04135816 structure

Zinc04135816

16-(3-hydroxypropylamino)-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile

Also Known As: ChemDivAM_000948|ChemDiv1_021501|HMS648B07|BAS 00312830|AB00099639-01|16-[(3-hydroxypropyl)amino]-1,8-diazatetracyclo[7.7.0.0^{2,7}.0^{11,15}]hexadeca-2(7),3,5,8,10,15-hexaene-10-carbonitrile|SR-01000433898-1|F1092-0102|11-((3-hydroxypropyl)amino)-2,3-dihydro-1H-benzo[4,5]imidazo[1,2-a]cyclopenta[d]pyridine-4-carbonitrile|11-[(3-hydroxypropyl)amino]-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a]benzimidazole-4-carbonitrile|11-[(3-hydroxypropyl)amino]-1,2,3,10-tetrahydrobenzimidazolo[1,2-a]cyclopenta[ 1,2-d]pyridine-4-carbonitrile|11-[(3-hydroxypropyl)amino]-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide|11-[(3-Hydroxypropyl)amino]-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a][1,3]benzimidazole-4-carbonitrile|16-(3-hydroxypropylamino)-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile

CAS: 5863-27-4
Molecular Formula C18H18N4O
Molecular Weight 306.14807 g/mol
LogP 2.64218
Topological Polar Surface Area 73.35 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
Rotatable Bonds 4
Exact Mass 306.14807
Monoisotopic Mass 306.14807
Heavy Atoms 23
Complexity 935.7256

Chemical Identifiers

CAS Number 5863-27-4
SMILES C1CC2=C(C3=NC4=CC=CC=C4N3C(=C2C1)NCCCO)C#N

Product Overview

Zinc04135816 (CAS 5863-27-4), with molecular formula C18H18N4O and molecular weight 306.14807 g/mol. IUPAC: 16-(3-hydroxypropylamino)-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile.

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