Cas no 769961-61-7 (4-(6,7-dimethoxyquinolin-4-yloxy)-benzene-1,2-diamine)

4-(6,7-dimethoxyquinolin-4-yloxy)-benzene-1,2-diamine structure
769961-61-7 structure
Product Name:4-(6,7-dimethoxyquinolin-4-yloxy)-benzene-1,2-diamine
CAS No:769961-61-7
MF:C17H17N3O3
MW:311.335183858871
CID:2123672
PubChem ID:17755726
Update Time:2025-04-21

4-(6,7-dimethoxyquinolin-4-yloxy)-benzene-1,2-diamine Chemical and Physical Properties

Names and Identifiers

    • 4-(6,7-dimethoxyquinolin-4-yloxy)-benzene-1,2-diamine
    • 769961-61-7
    • KQLBWRRITSSHJN-UHFFFAOYSA-N
    • SCHEMBL4365396
    • DA-02921
    • Inchi: 1S/C17H17N3O3/c1-21-16-8-11-14(9-17(16)22-2)20-6-5-15(11)23-10-3-4-12(18)13(19)7-10/h3-9H,18-19H2,1-2H3
    • InChI Key: KQLBWRRITSSHJN-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(=C(C=1)N)N)C1C=CN=C2C=C(C(=CC2=1)OC)OC

Computed Properties

  • Exact Mass: 311.12699141Da
  • Monoisotopic Mass: 311.12699141Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 4
  • Complexity: 384
  • 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: 2.3
  • Topological Polar Surface Area: 92.6?2
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