
 QUIPAZINE,8-Me

 34 36  0  0  0  0  0  0  0  0999 V2000
    0.9752    0.3572    0.3092 C   0  0  0  0  0
    2.4642    0.1758    0.1855 C   0  0  0  0  0
    3.0098   -1.1192    0.2362 C   0  0  0  0  0
    4.3810   -1.3106    0.1163 C   0  0  0  0  0
    5.2140   -0.2104   -0.0592 C   0  0  0  0  0
    4.6740    1.0856   -0.1115 C   0  0  0  0  0
    3.2889    1.2964    0.0167 C   0  0  0  0  0
    2.7583    2.5376   -0.0245 N   0  0  0  0  0
    3.5469    3.6235   -0.1937 C   0  0  0  0  0
    4.9199    3.4709   -0.3556 C   0  0  0  0  0
    5.4893    2.2010   -0.3033 C   0  0  0  0  0
    2.9547    4.9001   -0.2590 N   0  0  0  0  0
    3.5805    5.9179    0.6086 C   0  0  0  0  0
    2.8980    7.2937    0.4231 C   0  0  0  0  0
    1.4351    7.2646    0.6193 N   0  0  0  0  0
    0.8690    6.2622   -0.3089 C   0  0  0  0  0
    1.4802    4.8534   -0.1425 C   0  0  0  0  0
    0.4608   -0.6035    0.4188 H   0  0  0  0  0
    0.5764    0.8442   -0.5872 H   0  0  0  0  0
    0.7381    0.9633    1.1892 H   0  0  0  0  0
    2.3618   -1.9831    0.3674 H   0  0  0  0  0
    4.7990   -2.3131    0.1550 H   0  0  0  0  0
    6.2852   -0.3682   -0.1583 H   0  0  0  0  0
    5.5588    4.3237   -0.5518 H   0  0  0  0  0
    6.5628    2.0950   -0.4300 H   0  0  0  0  0
    4.6417    6.0504    0.3733 H   0  0  0  0  0
    3.5029    5.6115    1.6604 H   0  0  0  0  0
    3.3303    8.0072    1.1330 H   0  0  0  0  0
    3.1145    7.6801   -0.5808 H   0  0  0  0  0
    1.2504    6.9455    1.5709 H   0  0  0  0  0
   -0.2127    6.2066   -0.1424 H   0  0  0  0  0
    1.0113    6.6097   -1.3401 H   0  0  0  0  0
    1.1873    4.4555    0.8387 H   0  0  0  0  0
    1.0522    4.2095   -0.9210 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 21  1  0  0  0
  4  5  2  0  0  0
  4 22  1  0  0  0
  5  6  1  0  0  0
  5 23  1  0  0  0
  6 11  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
 10 11  2  0  0  0
 10 24  1  0  0  0
 11 25  1  0  0  0
 12 17  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 26  1  0  0  0
 13 27  1  0  0  0
 14 15  1  0  0  0
 14 28  1  0  0  0
 14 29  1  0  0  0
 15 16  1  0  0  0
 15 30  1  0  0  0
 16 17  1  0  0  0
 16 31  1  0  0  0
 16 32  1  0  0  0
 17 33  1  0  0  0
 17 34  1  0  0  0
M  END

>  <Chemical Name>
QUIPAZINE,8-Me

>  <PubChem CID>
54592354

>  <Formula>
C14H17N3

>  <Molecular Weight>
227.311000

>  <IUPAC Name>
8-methyl-2-piperazin-1-ylquinoline

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC=CC2=C1N=C(C=C2)N3CCNCC3

>  <Isomeric SMILES>
CC1=CC=CC2=C1N=C(C=C2)N3CCNCC3

>  <InChI Std. ID>
InChI=1S/C14H17N3/c1-11-3-2-4-12-5-6-13(16-14(11)12)17-9-7-15-8-10-17/h2-6,15H,7-10H2,1H3

>  <InChI Key>
IJMBSHUIAAPNNP-UHFFFAOYSA-N

