
 (A+/-)-Quinpirole dihydrochloride

 37 39  0  0  0  0  0  0  0  0999 V2000
    3.6495    0.2007    1.3053 C   0  0  0  0  0
    4.2642    1.5908    1.4066 C   0  0  0  0  0
    5.5225    1.7000    0.5358 C   0  0  0  0  0
    6.1962    3.0122    0.6363 N   0  0  0  0  0
    5.4371    4.0817   -0.0239 C   0  0  0  0  0
    5.7756    4.2680   -1.4984 C   0  0  0  0  0
    7.2555    4.5543   -1.7462 C   0  0  0  0  0
    8.1614    4.1693   -0.5699 C   0  0  0  0  0
    7.6077    2.9054    0.1680 C   0  0  0  0  0
    8.5484    2.4706    1.3409 C   0  0  0  0  0
    9.1062    3.6336    2.0778 C   0  0  0  0  0
    9.0667    4.9237    1.6075 C   0  0  0  0  0
    8.4439    5.3874    0.3500 C   0  0  0  0  0
    9.6811    5.6985    2.5402 N   0  0  0  0  0
   10.1453    4.9891    3.5877 N   0  0  0  0  0
    9.7844    3.7321    3.3054 C   0  0  0  0  0
    2.7450    0.1398    1.9193 H   0  0  0  0  0
    4.3490   -0.5657    1.6537 H   0  0  0  0  0
    3.3730   -0.0305    0.2713 H   0  0  0  0  0
    4.5160    1.7971    2.4536 H   0  0  0  0  0
    3.5049    2.3186    1.1056 H   0  0  0  0  0
    5.2789    1.4721   -0.5100 H   0  0  0  0  0
    6.2077    0.9106    0.8717 H   0  0  0  0  0
    5.6224    5.0176    0.5134 H   0  0  0  0  0
    4.3568    3.9363    0.0717 H   0  0  0  0  0
    5.1755    5.0870   -1.9131 H   0  0  0  0  0
    5.4839    3.3685   -2.0552 H   0  0  0  0  0
    7.3951    5.6111   -2.0052 H   0  0  0  0  0
    7.5634    3.9898   -2.6359 H   0  0  0  0  0
    9.1346    3.8832   -0.9974 H   0  0  0  0  0
    7.6459    2.0981   -0.5790 H   0  0  0  0  0
    9.3878    1.9037    0.9164 H   0  0  0  0  0
    8.0365    1.7932    2.0342 H   0  0  0  0  0
    7.5318    5.9443    0.5826 H   0  0  0  0  0
    9.1143    6.0842   -0.1689 H   0  0  0  0  0
    9.8259    6.7035    2.5367 H   0  0  0  0  0
   10.0382    2.9458    4.0048 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  2 21  1  0  0  0
  3  4  1  0  0  0
  3 22  1  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  5 25  1  0  0  0
  6  7  1  0  0  0
  6 26  1  0  0  0
  6 27  1  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  7 29  1  0  0  0
  8  9  1  0  0  0
  8 13  1  0  0  0
  8 30  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
 10 11  1  0  0  0
 10 32  1  0  0  0
 10 33  1  0  0  0
 11 16  1  0  0  0
 11 12  2  0  0  0
 12 14  1  0  0  0
 12 13  1  0  0  0
 13 34  1  0  0  0
 13 35  1  0  0  0
 14 15  1  0  0  0
 14 36  1  0  0  0
 15 16  2  0  0  0
 16 37  1  0  0  0
M  END

>  <Chemical Name>
(A+/-)-Quinpirole dihydrochloride

>  <PubChem CID>
1257

>  <Formula>
C13H21N3

>  <Molecular Weight>
219.332000

>  <IUPAC Name>
5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[3,4-g]quinoline

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCN1CCCC2C1CC3=C(C2)NN=C3

>  <Isomeric SMILES>
CCCN1CCCC2C1CC3=C(C2)NN=C3

>  <InChI Std. ID>
InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)

>  <InChI Key>
FTSUPYGMFAPCFZ-UHFFFAOYSA-N

