
 CHEMBL338119

 44 45  0  0  0  0  0  0  0  0999 V2000
    9.5239    1.6762    1.7422 C   0  0  0  0  0
    8.7584    1.4934    0.4385 C   0  0  0  0  0
    7.4091    2.2249    0.4860 C   0  0  0  0  0
    6.6408    2.1750   -0.7718 N   0  0  0  0  0
    6.4172    0.8106   -1.2872 C   0  0  0  0  0
    5.7433   -0.1822   -0.3299 C   0  0  0  0  0
    5.6205   -1.5608   -0.9676 C   0  0  0  0  0
    5.3727    2.9292   -0.6712 C   0  0  0  0  0
    5.5855    4.4537   -0.6000 C   0  0  0  0  0
    4.2805    5.2182   -0.5837 C   0  0  0  0  0
    3.6666    5.6025   -1.7857 C   0  0  0  0  0
    2.4652    6.3134   -1.7562 C   0  0  0  0  0
    1.8683    6.6412   -0.5358 C   0  0  0  0  0
    2.4658    6.2568    0.6618 C   0  0  0  0  0
    3.6681    5.5446    0.6365 C   0  0  0  0  0
    0.6673    7.3531   -0.5141 N   0  0  0  0  0
    0.0116    7.7675   -1.6572 C   0  0  0  0  0
   -1.0414    8.3886   -1.6031 O   0  0  0  0  0
    0.6752    7.4050   -3.0071 C   0  0  0  0  0
    0.1696    7.7289   -4.0742 O   0  0  0  0  0
    1.8595    6.7013   -2.9533 N   0  0  0  0  0
   10.4689    1.1259    1.7065 H   0  0  0  0  0
    8.9439    1.3016    2.5918 H   0  0  0  0  0
    9.7507    2.7320    1.9190 H   0  0  0  0  0
    8.6178    0.4196    0.2771 H   0  0  0  0  0
    9.3629    1.8754   -0.3920 H   0  0  0  0  0
    7.6327    3.2705    0.7243 H   0  0  0  0  0
    6.8098    1.8387    1.3209 H   0  0  0  0  0
    7.3806    0.4014   -1.6150 H   0  0  0  0  0
    5.8277    0.8717   -2.2122 H   0  0  0  0  0
    4.7453    0.1711   -0.0492 H   0  0  0  0  0
    6.3227   -0.2882    0.5930 H   0  0  0  0  0
    4.9665   -1.5310   -1.8428 H   0  0  0  0  0
    5.2010   -2.2723   -0.2513 H   0  0  0  0  0
    6.6002   -1.9357   -1.2810 H   0  0  0  0  0
    4.7820    2.5881    0.1884 H   0  0  0  0  0
    4.7643    2.7297   -1.5638 H   0  0  0  0  0
    6.1878    4.7894   -1.4549 H   0  0  0  0  0
    6.1527    4.7335    0.2951 H   0  0  0  0  0
    4.1335    5.3512   -2.7336 H   0  0  0  0  0
    2.0149    6.5050    1.6188 H   0  0  0  0  0
    4.1308    5.2522    1.5773 H   0  0  0  0  0
    0.2239    7.5980    0.3605 H   0  0  0  0  0
    2.2799    6.4751   -3.8441 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  6 32  1  0  0  0
  7 33  1  0  0  0
  7 34  1  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  8 36  1  0  0  0
  8 37  1  0  0  0
  9 10  1  0  0  0
  9 38  1  0  0  0
  9 39  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 40  1  0  0  0
 12 13  2  0  0  0
 12 21  1  0  0  0
 13 16  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 41  1  0  0  0
 15 42  1  0  0  0
 16 17  1  0  0  0
 16 43  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL338119

>  <PubChem CID>
10401913

>  <Formula>
C16H23N3O2

>  <Molecular Weight>
289.379000

>  <IUPAC Name>
6-[2-(dipropylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCN(CCC)CCC1=CC2=C(C=C1)NC(=O)C(=O)N2

>  <Isomeric SMILES>
CCCN(CCC)CCC1=CC2=C(C=C1)NC(=O)C(=O)N2

>  <InChI Std. ID>
InChI=1S/C16H23N3O2/c1-3-8-19(9-4-2)10-7-12-5-6-13-14(11-12)18-16(21)15(20)17-13/h5-6,11H,3-4,7-10H2,1-2H3,(H,17,20)(H,18,21)

>  <InChI Key>
DNYASGKTDDBVRM-UHFFFAOYSA-N

