Cas no 71999-22-9 (Isoquinoline, 2-acetyl-1,2-dihydro-1-(1H-indol-3-yl)-)

Isoquinoline, 2-acetyl-1,2-dihydro-1-(1H-indol-3-yl)- structure
71999-22-9 structure
Product Name:Isoquinoline, 2-acetyl-1,2-dihydro-1-(1H-indol-3-yl)-
CAS No:71999-22-9
MF:C19H16N2O
MW:288.343144416809
CID:544720
PubChem ID:2828443
Update Time:2025-04-19

Isoquinoline, 2-acetyl-1,2-dihydro-1-(1H-indol-3-yl)- Chemical and Physical Properties

Names and Identifiers

    • Isoquinoline, 2-acetyl-1,2-dihydro-1-(1H-indol-3-yl)-
    • 1-[1-(1H-indol-3-yl)-1H-isoquinolin-2-yl]ethanone
    • Oprea1_702828
    • SR-01000196096
    • SR-01000196096-1
    • AKOS030488309
    • DTXSID10385198
    • 1-(1-(1H-Indol-3-yl)isoquinolin-2(1H)-yl)ethanone
    • HMS1577M10
    • CBDivE_002353
    • 71999-22-9
    • Inchi: 1S/C19H16N2O/c1-13(22)21-11-10-14-6-2-3-7-15(14)19(21)17-12-20-18-9-5-4-8-16(17)18/h2-12,19-20H,1H3
    • InChI Key: YCHXQUZTRTXQKL-UHFFFAOYSA-N
    • SMILES: O=C(C)N1C=CC2C=CC=CC=2C1C1=CNC2C=CC=CC1=2

Computed Properties

  • Exact Mass: 288.12638
  • Monoisotopic Mass: 288.126263138g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 1
  • Complexity: 460
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.2
  • Topological Polar Surface Area: 36.1?2

Experimental Properties

  • PSA: 36.1
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