
 quipazine

 31 33  0  0  0  0  0  0  0  0999 V2000
    0.4500    1.4445   -1.2564 C   0  0  0  0  0
   -0.6126    1.7463   -0.1723 C   0  0  0  0  0
   -1.5021    0.5878    0.0543 N   0  0  0  0  0
   -0.7454   -0.6607    0.2986 C   0  0  0  0  0
    0.3298   -0.9080   -0.7880 C   0  0  0  0  0
    1.2541    0.2372   -0.9691 N   0  0  0  0  0
   -2.5668    0.4536   -0.8534 C   0  0  0  0  0
   -2.7640   -0.7279   -1.4797 N   0  0  0  0  0
   -3.7936   -0.8760   -2.3339 C   0  0  0  0  0
   -3.9801   -2.0941   -2.9751 C   0  0  0  0  0
   -5.0339   -2.3017   -3.8707 C   0  0  0  0  0
   -5.9273   -1.2711   -4.1389 C   0  0  0  0  0
   -5.7644   -0.0393   -3.5087 C   0  0  0  0  0
   -4.7029    0.1604   -2.6074 C   0  0  0  0  0
   -4.5135    1.3735   -1.9460 C   0  0  0  0  0
   -3.4478    1.5135   -1.0602 C   0  0  0  0  0
   -0.0306    1.3325   -2.2358 H   0  0  0  0  0
    1.1301    2.2997   -1.3358 H   0  0  0  0  0
   -1.1564    2.6607   -0.4322 H   0  0  0  0  0
   -0.0996    1.9648    0.7733 H   0  0  0  0  0
   -0.2410   -0.5573    1.2687 H   0  0  0  0  0
   -1.4031   -1.5323    0.4043 H   0  0  0  0  0
    0.9230   -1.7859   -0.5088 H   0  0  0  0  0
   -0.1363   -1.1414   -1.7519 H   0  0  0  0  0
    1.7422    0.3845   -0.0857 H   0  0  0  0  0
   -3.2853   -2.9047   -2.7696 H   0  0  0  0  0
   -5.1513   -3.2683   -4.3536 H   0  0  0  0  0
   -6.7486   -1.4256   -4.8338 H   0  0  0  0  0
   -6.4677    0.7623   -3.7196 H   0  0  0  0  0
   -5.1932    2.2068   -2.0998 H   0  0  0  0  0
   -3.3347    2.4437   -0.5147 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  2 20  1  0  0  0
  3  4  1  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  4 22  1  0  0  0
  5  6  1  0  0  0
  5 23  1  0  0  0
  5 24  1  0  0  0
  6 25  1  0  0  0
  7 16  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 26  1  0  0  0
 11 12  2  0  0  0
 11 27  1  0  0  0
 12 13  1  0  0  0
 12 28  1  0  0  0
 13 14  2  0  0  0
 13 29  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 30  1  0  0  0
 16 31  1  0  0  0
M  END

>  <Chemical Name>
quipazine

>  <PubChem CID>
5011

>  <Formula>
C13H15N3

>  <Molecular Weight>
213.284000

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

>  <XlogP>
1.500

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCN1)C2=NC3=CC=CC=C3C=C2

>  <Isomeric SMILES>
C1CN(CCN1)C2=NC3=CC=CC=C3C=C2

>  <InChI Std. ID>
InChI=1S/C13H15N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2

>  <InChI Key>
XRXDAJYKGWNHTQ-UHFFFAOYSA-N

