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  • BRN 0887261,LS-141094,2-Methyl-3-(3-phenylisopropyl)-4(3H)-quinazolino
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    BRN 0887261
    LS-141094
    2-Methyl-3-(3-phenylisopropyl)-4(3H)-quinazolinone
    4(3H)-Quinazolinone, 2-methyl-3-(3-phenylisopropyl)-
    5-24-03-00136 (Beilstein Handbook Reference)
    2-Methyl-3-(3'-phenylpropyl-(2''))chinazolinone-(4) [German]
    1913-87-7

    [Structure]
    BRN 0887261,LS-141094,2-Methyl-3-(3-phenylisopropyl)-4(3H)-quinazolino

    [ Properties Computed from Structure]
    Molecular Weight278.34832 [g/mol]
    Molecular FormulaC18H18N2O
    XLogP3.4
    H-Bond Donor0
    H-Bond Acceptor2
    Rotatable Bond Count3
    Exact Mass278.141913
    MonoIsotopic Mass278.141913
    Topological Polar Surface Area32.7
    Heavy Atom Count21
    Formal Charge0
    Complexity411
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count1
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 2-methyl-3-(1-phenylpropan-2-yl)quinazolin-4-one
    Canonical SMILES: CC1=NC2=CC=CC=C2C(=O)N1C(C)CC3=CC=CC=C3
    InChI: InChI=1/C18H18N2O/c1-13(12-15-8-4-3-5-9-15)20-14(2)19-17-11-7-6-10-16
    (17)18(20)21/h3-11,13H,12H2,1-2H3

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