Cas no 780021-95-6 (5-(azetidin-3-yloxy)isoquinoline)

5-(Azetidin-3-yloxy)isoquinoline is a heterocyclic compound featuring an isoquinoline core substituted with an azetidin-3-yloxy moiety. This structure imparts unique reactivity and potential as an intermediate in pharmaceutical and agrochemical synthesis. The azetidine ring enhances conformational rigidity, while the isoquinoline scaffold offers versatile functionalization sites, making it valuable for drug discovery and ligand design. Its balanced lipophilicity and polarity contribute to favorable pharmacokinetic properties in medicinal chemistry applications. The compound is particularly useful in the development of kinase inhibitors and other biologically active molecules due to its ability to modulate target interactions. High purity and stability ensure reliable performance in synthetic workflows.
5-(azetidin-3-yloxy)isoquinoline structure
780021-95-6 structure
Product Name:5-(azetidin-3-yloxy)isoquinoline
CAS No:780021-95-6
MF:C12H12N2O
MW:200.236482620239
CID:553586
PubChem ID:22451525
Update Time:2025-06-07

5-(azetidin-3-yloxy)isoquinoline Chemical and Physical Properties

Names and Identifiers

    • Isoquinoline,5-(3-azetidinyloxy)-
    • Isoquinoline, 5-(3-azetidinyloxy)- (9CI)
    • 5-(azetidin-3-yloxy)isoquinoline
    • EN300-1851476
    • 780021-95-6
    • Inchi： 1S/C12H12N2O/c1-2-9-6-13-5-4-11(9)12(3-1)15-10-7-14-8-10/h1-6,10,14H,7-8H2
    • InChI Key： ZSRJOTNQPULKAQ-UHFFFAOYSA-N
    • SMILES： O(C1=CC=CC2C=NC=CC1=2)C1CNC1

Computed Properties

  • Exact Mass: 200.094963011g/mol
  • Monoisotopic Mass: 200.094963011g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 218
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 34.2?2

5-(azetidin-3-yloxy)isoquinoline Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-1851476-1g
5-(azetidin-3-yloxy)isoquinoline
 780021-95-6
1g
 $1057.0 2023-09-19
Enamine
EN300-1851476-5g
5-(azetidin-3-yloxy)isoquinoline
 780021-95-6
5g
 $3065.0 2023-09-19
Enamine
EN300-1851476-10g
5-(azetidin-3-yloxy)isoquinoline
 780021-95-6
10g
 $4545.0 2023-09-19
Enamine
EN300-1851476-0.05g
5-(azetidin-3-yloxy)isoquinoline
 780021-95-6
0.05g
 $888.0 2023-09-19
Enamine
EN300-1851476-0.1g
5-(azetidin-3-yloxy)isoquinoline
 780021-95-6
0.1g
 $930.0 2023-09-19
Enamine
EN300-1851476-0.25g
5-(azetidin-3-yloxy)isoquinoline
 780021-95-6
0.25g
 $972.0 2023-09-19
Enamine
EN300-1851476-0.5g
5-(azetidin-3-yloxy)isoquinoline
 780021-95-6
0.5g
 $1014.0 2023-09-19
Enamine
EN300-1851476-1.0g
5-(azetidin-3-yloxy)isoquinoline
 780021-95-6
1g
 $1029.0 2023-06-02
Enamine
EN300-1851476-2.5g
5-(azetidin-3-yloxy)isoquinoline
 780021-95-6
2.5g
 $2071.0 2023-09-19
Enamine
EN300-1851476-5.0g
5-(azetidin-3-yloxy)isoquinoline
 780021-95-6
5g
 $2981.0 2023-06-02

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