
 CHEMBL89660

 46 49  0  0  0  0  0  0  0  0999 V2000
    6.7928    0.4840    7.2161 C   0  0  0  0  0
    7.7341    1.5002    7.8751 C   0  0  0  0  0
    9.1138    1.1741    7.6296 O   0  0  0  0  0
    9.3873    1.1388    6.2201 C   0  0  0  0  0
    8.5205    0.0856    5.5238 C   0  0  0  0  0
    7.1033    0.3515    5.7902 N   0  0  0  0  0
    6.1003    0.4710    4.8433 C   0  0  0  0  0
    4.9274    0.6775    5.1546 O   0  0  0  0  0
    6.5229    0.3376    3.3876 C   0  0  0  0  0
    5.3658    0.4381    2.3936 C   0  0  0  0  0
    4.7781    1.8428    2.2550 C   0  0  0  0  0
    5.7863    2.7518    1.7997 O   0  0  0  0  0
    5.3744    4.0334    1.5404 C   0  0  0  0  0
    6.3659    4.8988    1.0688 C   0  0  0  0  0
    6.0684    6.2384    0.7522 C   0  0  0  0  0
    7.0578    7.1177    0.2738 C   0  0  0  0  0
    6.6545    8.3958   -0.0112 C   0  0  0  0  0
    5.3333    8.7737    0.1750 C   0  0  0  0  0
    5.2195   10.1028   -0.1973 N   0  0  0  0  0
    6.4679   10.5659   -0.6186 C   0  0  0  0  0
    6.7358   11.6837   -1.0171 O   0  0  0  0  0
    7.3614    9.4899   -0.4962 N   0  0  0  0  0
    4.3586    7.9881    0.6279 N   0  0  0  0  0
    4.7334    6.7257    0.9135 C   0  0  0  0  0
    3.7755    5.8481    1.3892 C   0  0  0  0  0
    4.0803    4.5179    1.7040 C   0  0  0  0  0
    6.9453   -0.5061    7.6618 H   0  0  0  0  0
    5.7505    0.7731    7.3792 H   0  0  0  0  0
    7.5825    1.5041    8.9589 H   0  0  0  0  0
    7.5402    2.5132    7.5034 H   0  0  0  0  0
    9.2108    2.1350    5.7966 H   0  0  0  0  0
   10.4468    0.8989    6.0893 H   0  0  0  0  0
    8.7475    0.0588    4.4575 H   0  0  0  0  0
    8.7332   -0.9067    5.9395 H   0  0  0  0  0
    6.9771   -0.6533    3.2685 H   0  0  0  0  0
    7.2764    1.0994    3.1626 H   0  0  0  0  0
    4.5672   -0.2589    2.6742 H   0  0  0  0  0
    5.7437    0.1237    1.4128 H   0  0  0  0  0
    4.3728    2.1857    3.2125 H   0  0  0  0  0
    3.9697    1.7895    1.5153 H   0  0  0  0  0
    7.3775    4.5180    0.9450 H   0  0  0  0  0
    8.0851    6.8040    0.1333 H   0  0  0  0  0
    4.3705   10.6394   -0.1698 H   0  0  0  0  0
    8.3380    9.5424   -0.7345 H   0  0  0  0  0
    2.7559    6.2041    1.5208 H   0  0  0  0  0
    3.2721    3.8941    2.0734 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  6  7  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
  9 36  1  0  0  0
 10 11  1  0  0  0
 10 37  1  0  0  0
 10 38  1  0  0  0
 11 12  1  0  0  0
 11 39  1  0  0  0
 11 40  1  0  0  0
 12 13  1  0  0  0
 13 26  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 41  1  0  0  0
 15 24  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 16 42  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 23  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
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 20 22  1  0  0  0
 20 21  2  0  0  0
 22 44  1  0  0  0
 23 24  2  0  0  0
 24 25  1  0  0  0
 25 26  2  0  0  0
 25 45  1  0  0  0
 26 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL89660

>  <PubChem CID>
14281000

>  <Formula>
C18H20N4O4

>  <Molecular Weight>
356.382000

>  <IUPAC Name>
7-(4-morpholin-4-yl-4-oxobutoxy)-1,3-dihydroimidazo[4,5-b]quinolin-2-one

>  <XlogP>
0.600

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1COCCN1C(=O)CCCOC2=CC3=CC4=C(NC(=O)N4)N=C3C=C2

>  <Isomeric SMILES>
C1COCCN1C(=O)CCCOC2=CC3=CC4=C(NC(=O)N4)N=C3C=C2

>  <InChI Std. ID>
InChI=1S/C18H20N4O4/c23-16(22-5-8-25-9-6-22)2-1-7-26-13-3-4-14-12(10-13)11-15-17(19-14)21-18(24)20-15/h3-4,10-11H,1-2,5-9H2,(H2,19,20,21,24)

>  <InChI Key>
AXOWWPSGJNHDFB-UHFFFAOYSA-N

