
 CHEMBL91224

 37 39  0  0  0  0  0  0  0  0999 V2000
   -1.9936   -0.4379   -0.9606 C   0  0  0  0  0
   -0.6639   -0.8488   -1.1267 C   0  0  0  0  0
    0.3927   -0.1739   -0.5365 C   0  0  0  0  0
    1.6468   -0.6266   -0.7404 N   0  0  0  0  0
    2.6016    0.0788   -0.1348 C   0  0  0  0  0
    2.4019    1.1990    0.6579 C   0  0  0  0  0
    1.1382    1.6771    0.8771 C   0  0  0  0  0
    0.0897    0.9729    0.2617 C   0  0  0  0  0
   -1.2447    1.3809    0.4211 C   0  0  0  0  0
   -2.2882    0.6797   -0.1861 C   0  0  0  0  0
   -3.5332    1.1913    0.0498 O   0  0  0  0  0
   -4.6455    0.4696   -0.4783 C   0  0  0  0  0
   -5.9335    1.2009   -0.0998 C   0  0  0  0  0
   -6.1384    1.2749    1.4156 C   0  0  0  0  0
   -7.4516    1.9710    1.7610 C   0  0  0  0  0
   -7.6386    2.1049    3.2455 C   0  0  0  0  0
   -7.8089    3.1466    3.8584 O   0  0  0  0  0
   -7.6585    0.9215    3.8856 O   0  0  0  0  0
    3.6355    1.6493    1.1099 N   0  0  0  0  0
    4.6236    0.7992    0.5922 C   0  0  0  0  0
    5.8234    0.8896    0.7798 O   0  0  0  0  0
    3.9654   -0.1649   -0.1752 N   0  0  0  0  0
   -2.7673   -1.0152   -1.4558 H   0  0  0  0  0
   -0.4510   -1.7236   -1.7377 H   0  0  0  0  0
    0.9616    2.5506    1.4924 H   0  0  0  0  0
   -1.4843    2.2542    1.0248 H   0  0  0  0  0
   -4.6674   -0.5480   -0.0700 H   0  0  0  0  0
   -4.5793    0.4285   -1.5720 H   0  0  0  0  0
   -6.7843    0.6883   -0.5637 H   0  0  0  0  0
   -5.8998    2.2207   -0.5026 H   0  0  0  0  0
   -5.3068    1.8147    1.8846 H   0  0  0  0  0
   -6.1300    0.2615    1.8350 H   0  0  0  0  0
   -8.3117    1.4293    1.3518 H   0  0  0  0  0
   -7.4655    2.9789    1.3298 H   0  0  0  0  0
   -7.8103    1.1617    4.8240 H   0  0  0  0  0
    3.8274    2.4393    1.7043 H   0  0  0  0  0
    4.4035   -0.9168   -0.6772 H   0  0  0  0  0
  1 10  1  0  0  0
  1  2  2  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  5 22  1  0  0  0
  5  6  2  0  0  0
  6 19  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 25  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 26  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 27  1  0  0  0
 12 28  1  0  0  0
 13 14  1  0  0  0
 13 29  1  0  0  0
 13 30  1  0  0  0
 14 15  1  0  0  0
 14 31  1  0  0  0
 14 32  1  0  0  0
 15 16  1  0  0  0
 15 33  1  0  0  0
 15 34  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 35  1  0  0  0
 19 20  1  0  0  0
 19 36  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL91224

>  <PubChem CID>
14280994

>  <Formula>
C15H15N3O4

>  <Molecular Weight>
301.302000

>  <IUPAC Name>
5-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]pentanoic acid

>  <XlogP>
1.3

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC2=NC3=C(C=C2C=C1OCCCCC(=O)O)NC(=O)N3

>  <Isomeric SMILES>
C1=CC2=NC3=C(C=C2C=C1OCCCCC(=O)O)NC(=O)N3

>  <InChI Std. ID>
InChI=1S/C15H15N3O4/c19-13(20)3-1-2-6-22-10-4-5-11-9(7-10)8-12-14(16-11)18-15(21)17-12/h4-5,7-8H,1-3,6H2,(H,19,20)(H2,16,17,18,21)

>  <InChI Key>
AHNFHVODVZRNNS-UHFFFAOYSA-N

