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CS-W001157 4
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7-Hydroxyquinazolin-4(3H)-one

  • CAS No. 16064-25-8

  • Cat. No. CS-0084837
  • Purity≥98%
  • MDL No.MFCD01823180

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

7-Hydroxyquinazolin-4(3H)-one|CS-0084837

Structure of 16064-25-8

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General Information

  • CAS No. 16064-25-8
  • Cat. No. CS-0084837
  • Purity ≥98%
  • MDL No. MFCD01823180
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆N₂O₂
  • Molecular Weight 162.15
  • Synonym(s) Quinazoline-4,7-diol
  • SMILES O=C1NC=NC2=C1C=CC(O)=C2

Description

7-Hydroxyquinazolin-4(3H)-one is a heterocyclic scaffold featuring a hydroxyl group at the 7-position and a lactam functionality at the 4-position, conferring enhanced solubility and hydrogen-bonding capacity. This structural motif serves as a key pharmacophore in kinase inhibitor design, where its planar architecture facilitates target binding. The compound exhibits bench-stable handling characteristics and integrates readily into medicinal chemistry campaigns targeting ATP-binding domains.

Application

7-Hydroxyquinazolin-4(3H)-one serves as a versatile scaffold in medicinal chemistry, enabling direct derivatization at the C7 hydroxyl group via esterification, etherification, or metal-catalyzed coupling. Its bench-stable nature and compatibility with standard protecting group strategies facilitate efficient access to functionalized quinazoline libraries. The core structure supports diverse biological evaluations, particularly in kinase inhibitor development, due to its favorable hydrogen-bonding capacity and planar geometry.

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 : H302-H315-H319
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   65.98
  • LogP   0.6287
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   0

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