
 CHEMBL91359

 38 40  0  0  0  0  0  0  0  0999 V2000
    0.0384   -1.8948    1.1202 C   0  0  0  0  0
    1.4535   -2.4509    1.0326 C   0  0  0  0  0
    1.5615   -3.5274   -0.0495 C   0  0  0  0  0
    2.9569   -4.1648   -0.1008 C   0  0  0  0  0
    3.0330   -5.2405   -1.1842 C   0  0  0  0  0
    2.9338   -4.6005   -2.4578 O   0  0  0  0  0
    2.9555   -5.4068   -3.5596 C   0  0  0  0  0
    3.3165   -4.7692   -4.7478 C   0  0  0  0  0
    3.3544   -5.4732   -5.9617 C   0  0  0  0  0
    3.7385   -4.8365   -7.1537 C   0  0  0  0  0
    3.7393   -5.6108   -8.2819 C   0  0  0  0  0
    3.3712   -6.9464   -8.2185 C   0  0  0  0  0
    3.4659   -7.4656   -9.5000 N   0  0  0  0  0
    3.8976   -6.4602  -10.3682 C   0  0  0  0  0
    4.0931   -6.5639  -11.5653 O   0  0  0  0  0
    4.0657   -5.3019   -9.5958 N   0  0  0  0  0
    3.0006   -7.6002   -7.1179 N   0  0  0  0  0
    2.9988   -6.8577   -5.9925 C   0  0  0  0  0
    2.6350   -7.4599   -4.7985 C   0  0  0  0  0
    2.6131   -6.7546   -3.5882 C   0  0  0  0  0
    2.3501   -1.3816    0.7475 O   0  0  0  0  0
   -0.0156   -1.1020    1.8739 H   0  0  0  0  0
   -0.6796   -2.6776    1.3843 H   0  0  0  0  0
   -0.2681   -1.4464    0.1685 H   0  0  0  0  0
    1.7367   -2.8668    2.0055 H   0  0  0  0  0
    1.3355   -3.0843   -1.0273 H   0  0  0  0  0
    0.8148   -4.3091    0.1366 H   0  0  0  0  0
    3.1901   -4.6142    0.8712 H   0  0  0  0  0
    3.7072   -3.3914   -0.3035 H   0  0  0  0  0
    2.2145   -5.9523   -1.0312 H   0  0  0  0  0
    3.9945   -5.7629   -1.1137 H   0  0  0  0  0
    3.5766   -3.7129   -4.7154 H   0  0  0  0  0
    4.0218   -3.7917   -7.1826 H   0  0  0  0  0
    3.2592   -8.4156   -9.7548 H   0  0  0  0  0
    4.3758   -4.4191   -9.9668 H   0  0  0  0  0
    2.3548   -8.5111   -4.8057 H   0  0  0  0  0
    2.3027   -7.2894   -2.6973 H   0  0  0  0  0
    2.1208   -1.0259   -0.1286 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2 21  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  7 20  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  9 18  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 33  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 17  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 34  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 35  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
 19 36  1  0  0  0
 20 37  1  0  0  0
 21 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL91359

>  <PubChem CID>
14281041

>  <Formula>
C15H17N3O3

>  <Molecular Weight>
287.319000

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

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(CCCOC1=CC2=CC3=C(NC(=O)N3)N=C2C=C1)O

>  <Isomeric SMILES>
CC(CCCOC1=CC2=CC3=C(NC(=O)N3)N=C2C=C1)O

>  <InChI Std. ID>
InChI=1S/C15H17N3O3/c1-9(19)3-2-6-21-11-4-5-12-10(7-11)8-13-14(16-12)18-15(20)17-13/h4-5,7-9,19H,2-3,6H2,1H3,(H2,16,17,18,20)

>  <InChI Key>
AOAQFGRPXBJZPI-UHFFFAOYSA-N

