
 QUINPIROLE

 37 39  0  0  0  0  0  0  0  0999 V2000
    3.6006    0.5015    0.6457 C   0  0  0  0  0
    4.2735    1.8513    0.8535 C   0  0  0  0  0
    5.6140    1.9215    0.1090 C   0  0  0  0  0
    6.3405    3.1896    0.3252 N   0  0  0  0  0
    5.6989    4.3306   -0.3360 C   0  0  0  0  0
    6.1533    4.5703   -1.7719 C   0  0  0  0  0
    7.6678    4.7018   -1.9262 C   0  0  0  0  0
    8.4527    4.2757   -0.6811 C   0  0  0  0  0
    7.7824    3.0299   -0.0142 C   0  0  0  0  0
    8.5923    2.5466    1.2336 C   0  0  0  0  0
    9.1049    3.6823    2.0429 C   0  0  0  0  0
    9.1637    4.9757    1.5856 C   0  0  0  0  0
    8.7052    5.4748    0.2717 C   0  0  0  0  0
    9.6933    5.7228    2.5937 N   0  0  0  0  0
   10.0104    4.9879    3.6762 N   0  0  0  0  0
    9.6420    3.7454    3.3407 C   0  0  0  0  0
    2.6387    0.4731    1.1682 H   0  0  0  0  0
    4.2217   -0.3127    1.0336 H   0  0  0  0  0
    3.4145    0.3162   -0.4170 H   0  0  0  0  0
    4.4342    2.0121    1.9265 H   0  0  0  0  0
    3.5843    2.6276    0.5088 H   0  0  0  0  0
    5.4609    1.7441   -0.9629 H   0  0  0  0  0
    6.2234    1.0856    0.4782 H   0  0  0  0  0
    5.8945    5.2258    0.2618 H   0  0  0  0  0
    4.6079    4.2500   -0.3261 H   0  0  0  0  0
    5.6734    5.4772   -2.1575 H   0  0  0  0  0
    5.7973    3.7484   -2.4075 H   0  0  0  0  0
    7.9306    5.7265   -2.2127 H   0  0  0  0  0
    7.9753    4.0712   -2.7723 H   0  0  0  0  0
    9.4467    3.9512   -1.0256 H   0  0  0  0  0
    7.8573    2.2282   -0.7649 H   0  0  0  0  0
    9.4540    1.9653    0.8808 H   0  0  0  0  0
    7.9967    1.8709    1.8584 H   0  0  0  0  0
    7.8088    6.0865    0.4077 H   0  0  0  0  0
    9.4657    6.1307   -0.1697 H   0  0  0  0  0
    9.8697    6.7224    2.6193 H   0  0  0  0  0
    9.7878    2.9455    4.0541 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>
QUINPIROLE

>  <PubChem CID>
54562

>  <Formula>
C13H21N3

>  <Molecular Weight>
219.332000

>  <IUPAC Name>
(4aR,8aR)-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>
CCCN1CCC[C@H]2[C@H]1CC3=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)/t10-,13-/m1/s1

>  <InChI Key>
FTSUPYGMFAPCFZ-ZWNOBZJWSA-N

