
 CHEMBL91899

 35 37  0  0  0  0  0  0  0  0999 V2000
    4.3304   -0.2092   -1.4836 C   0  0  0  0  0
    5.5889   -0.0947   -0.6470 C   0  0  0  0  0
    6.2240    1.1439   -0.9541 O   0  0  0  0  0
    7.3955    1.3492   -0.1585 C   0  0  0  0  0
    8.0528    2.6748   -0.5431 C   0  0  0  0  0
    7.2616    3.7544   -0.0337 O   0  0  0  0  0
    7.7187    5.0220   -0.2634 C   0  0  0  0  0
    6.9021    6.0385    0.2364 C   0  0  0  0  0
    7.2571    7.3899    0.0898 C   0  0  0  0  0
    6.4386    8.4122    0.5991 C   0  0  0  0  0
    6.8818    9.6948    0.4156 C   0  0  0  0  0
    8.0769    9.9362   -0.2455 C   0  0  0  0  0
    8.2681   11.3091   -0.2711 N   0  0  0  0  0
    7.1961   11.9309    0.3736 C   0  0  0  0  0
    7.0382   13.1263    0.5409 O   0  0  0  0  0
    6.3315   10.9107    0.7975 N   0  0  0  0  0
    8.8874    9.0092   -0.7530 N   0  0  0  0  0
    8.4706    7.7375   -0.5813 C   0  0  0  0  0
    9.2554    6.7078   -1.0747 C   0  0  0  0  0
    8.8949    5.3620   -0.9247 C   0  0  0  0  0
    3.8224   -1.1593   -1.2961 H   0  0  0  0  0
    4.5670   -0.1382   -2.5503 H   0  0  0  0  0
    3.6411    0.6104   -1.2548 H   0  0  0  0  0
    6.2679   -0.9222   -0.8802 H   0  0  0  0  0
    5.3323   -0.1295    0.4175 H   0  0  0  0  0
    8.0970    0.5287   -0.3458 H   0  0  0  0  0
    7.1134    1.3585    0.9004 H   0  0  0  0  0
    8.1187    2.7493   -1.6349 H   0  0  0  0  0
    9.0509    2.7102   -0.0914 H   0  0  0  0  0
    5.9811    5.7635    0.7469 H   0  0  0  0  0
    5.5090    8.2022    1.1136 H   0  0  0  0  0
    9.0571   11.7745   -0.6833 H   0  0  0  0  0
    5.4714   11.0730    1.2966 H   0  0  0  0  0
   10.1802    6.9551   -1.5917 H   0  0  0  0  0
    9.5609    4.6115   -1.3371 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  2 25  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  4 27  1  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  5 29  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 30  1  0  0  0
  9 18  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 31  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 32  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 33  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
 19 34  1  0  0  0
 20 35  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL91899

>  <PubChem CID>
14281031

>  <Formula>
C14H15N3O3

>  <Molecular Weight>
273.292000

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

>  <XlogP>
1.400

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCOCCOC1=CC2=CC3=C(NC(=O)N3)N=C2C=C1

>  <Isomeric SMILES>
CCOCCOC1=CC2=CC3=C(NC(=O)N3)N=C2C=C1

>  <InChI Std. ID>
InChI=1S/C14H15N3O3/c1-2-19-5-6-20-10-3-4-11-9(7-10)8-12-13(15-11)17-14(18)16-12/h3-4,7-8H,2,5-6H2,1H3,(H2,15,16,17,18)

>  <InChI Key>
BJHINFNFMZFKMO-UHFFFAOYSA-N

