
 CHEMBL260456

 47 50  0  0  0  0  0  0  0  0999 V2000
    1.2985    2.1144   -0.8479 C   0  0  0  0  0
    1.7898    0.8468   -0.3113 N   0  0  0  0  0
    1.4266   -0.2937   -1.1840 C   0  0  0  0  0
    2.2124   -0.3974   -2.5151 C   0  0  0  0  0
    3.6689   -0.3483   -2.2685 N   0  0  0  0  0
    4.0702    0.8213   -1.4622 C   0  0  0  0  0
    3.2622    0.8630   -0.1430 C   0  0  0  0  0
    4.3629   -0.4222   -3.4992 C   0  0  0  0  0
    4.7818    0.7245   -4.0857 N   0  0  0  0  0
    5.3900    0.6320   -5.2820 C   0  0  0  0  0
    5.7974    1.7936   -5.9235 C   0  0  0  0  0
    6.4221    1.7543   -7.1700 C   0  0  0  0  0
    6.6481    0.5291   -7.7831 C   0  0  0  0  0
    6.2424   -0.6455   -7.1465 C   0  0  0  0  0
    5.6126   -0.6179   -5.9080 C   0  0  0  0  0
    5.2199   -1.7697   -5.3363 N   0  0  0  0  0
    4.5956   -1.6595   -4.1377 C   0  0  0  0  0
    4.1434   -2.8098   -3.5151 O   0  0  0  0  0
    4.6294   -4.0054   -4.1191 C   0  0  0  0  0
    4.0628   -5.1875   -3.3628 C   0  0  0  0  0
    2.6736   -5.3806   -3.2949 C   0  0  0  0  0
    2.1404   -6.4793   -2.6176 C   0  0  0  0  0
    2.9944   -7.3934   -2.0044 C   0  0  0  0  0
    4.3746   -7.2165   -2.0607 C   0  0  0  0  0
    4.9084   -6.1165   -2.7384 C   0  0  0  0  0
    2.3387   -8.7508   -1.1745 Cl  0  0  0  0  0
    1.5586    2.9384   -0.1741 H   0  0  0  0  0
    0.2050    2.1003   -0.9136 H   0  0  0  0  0
    1.6930    2.3518   -1.8408 H   0  0  0  0  0
    0.3501   -0.2733   -1.3965 H   0  0  0  0  0
    1.5967   -1.2151   -0.6116 H   0  0  0  0  0
    1.9336   -1.3415   -3.0001 H   0  0  0  0  0
    1.9082    0.4186   -3.1836 H   0  0  0  0  0
    5.1357    0.7480   -1.2129 H   0  0  0  0  0
    3.9153    1.7627   -2.0050 H   0  0  0  0  0
    3.5382   -0.0099    0.4635 H   0  0  0  0  0
    3.5622    1.7394    0.4446 H   0  0  0  0  0
    5.6177    2.7518   -5.4426 H   0  0  0  0  0
    6.7275    2.6779   -7.6562 H   0  0  0  0  0
    7.1346    0.4828   -8.7545 H   0  0  0  0  0
    6.4171   -1.6046   -7.6287 H   0  0  0  0  0
    5.7261   -4.0277   -4.0794 H   0  0  0  0  0
    4.3021   -4.0866   -5.1637 H   0  0  0  0  0
    2.0022   -4.6681   -3.7702 H   0  0  0  0  0
    1.0637   -6.6145   -2.5724 H   0  0  0  0  0
    5.0403   -7.9287   -1.5809 H   0  0  0  0  0
    5.9884   -5.9898   -2.7733 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
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  6 34  1  0  0  0
  6 35  1  0  0  0
  7 36  1  0  0  0
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  8 17  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
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 10 11  2  0  0  0
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 12 13  2  0  0  0
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 25 47  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL260456

>  <PubChem CID>
24854704

>  <Formula>
C20H21ClN4O

>  <Molecular Weight>
368.865000

>  <IUPAC Name>
2-[(4-chlorophenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN1CCN(CC1)C2=NC3=CC=CC=C3N=C2OCC4=CC=C(C=C4)Cl

>  <Isomeric SMILES>
CN1CCN(CC1)C2=NC3=CC=CC=C3N=C2OCC4=CC=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C20H21ClN4O/c1-24-10-12-25(13-11-24)19-20(23-18-5-3-2-4-17(18)22-19)26-14-15-6-8-16(21)9-7-15/h2-9H,10-14H2,1H3

>  <InChI Key>
AGPIKWIOEVLNPA-UHFFFAOYSA-N

