Cas no 16994-48-2 (Isoquinoline,1-[2-(2-pyridinyl)ethyl]-)

Isoquinoline,1-[2-(2-pyridinyl)ethyl]- structure
16994-48-2 structure
Product Name:Isoquinoline,1-[2-(2-pyridinyl)ethyl]-
CAS No:16994-48-2
MF:C16H14N2
MW:234.295763492584
CID:210232
PubChem ID:53260
Update Time:2025-04-19

Isoquinoline,1-[2-(2-pyridinyl)ethyl]- Chemical and Physical Properties

Names and Identifiers

    • Isoquinoline,1-[2-(2-pyridinyl)ethyl]-
    • (beta-(2-pyridyl)ethyl)isoquinoline
    • 1-(2-(2-Pyridinyl)ethyl)isoquinoline
    • 1-[2-(pyridin-2-yl)ethyl]isoquinoline
    • BPEIQ
    • Isoquinoline, 1-(2-(2-pyridinyl)ethyl)-
    • 1-(2-pyridin-2-ylethyl)isoquinoline
    • 16994-48-2
    • DTXSID90937715
    • (2-(2-Pyridinyl)ethyl)isoquinoline
    • (2-(PYRIDIN-2-YL)ETHYL)ISOQUINOLINE
    • ISOQUINOLINE, (2-(2-PYRIDINYL)ETHYL)-
    • (beta-(2-Pirydylo)-etylo)izochinoliny [Polish]
    • (beta-(2-Pirydylo)-etylo)izochinoliny
    • 1-(2-(Pyridin-2-yl)ethyl)isoquinoline
    • 75366-63-1
    • Inchi: 1S/C16H14N2/c1-2-7-15-13(5-1)10-12-18-16(15)9-8-14-6-3-4-11-17-14/h1-7,10-12H,8-9H2
    • InChI Key: RSBCTUPEIZFAAB-UHFFFAOYSA-N
    • SMILES: N1C=CC2C=CC=CC=2C=1CCC1C=CC=CN=1

Computed Properties

  • Exact Mass: 234.11582
  • Monoisotopic Mass: 234.115698455g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 254
  • 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: 3.3
  • Topological Polar Surface Area: 25.8?2

Experimental Properties

  • PSA: 25.78
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