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8-Amino-3,4-dihydroisoquinolin-1(2H)-one

  • CAS No. 169045-00-5

  • Cat. No. CS-0433150
  • Purity≥97%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

8-Amino-3,4-dihydroisoquinolin-1(2H)-one|CS-0433150

Structure of 169045-00-5

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General Information

  • CAS No. 169045-00-5
  • Cat. No. CS-0433150
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀N₂O
  • Molecular Weight 162.19
  • Synonym(s) 8-amino-3,4-dihydro-2H-isoquinolin-1-one
  • SMILES O=C1NCCC2=C1C(N)=CC=C2

Description

8-Amino-3,4-dihydroisoquinolin-1(2H)-one features a fused tricyclic core with a strategically positioned amino group and a reducible carbonyl, enabling direct incorporation into bioactive scaffolds. The amine facilitates conjugation and functionalization, while the dihydroisoquinolinone framework provides structural rigidity and enhanced solubility in polar solvents. This compound serves as a key intermediate for medicinal chemistry applications requiring nitrogen-rich heterocycles.

Application

8-Amino-3,4-dihydroisoquinolin-1(2H)-one serves as a versatile scaffold in medicinal chemistry, enabling the synthesis of bioactive heterocycles through standard functionalization at the amino and carbonyl positions. Its bench-stable nature and compatibility with diverse coupling reactions facilitate efficient derivatization for target-focused libraries. Functions as a key intermediate in constructing isoquinoline-based pharmaceutical candidates.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P233-P260-P261-P264-P271-P280-P302+P352-P304+P340-P340-P362-P403-P405-P501

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Computational Chemistry Data

  • TPSA   55.12
  • LogP   0.5547
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   0

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