
 CHEMBL1771699

 43 46  0  0  0  0  0  0  0  0999 V2000
    1.6333   -0.9669    0.5000 C   0  0  0  0  0
    2.2140    0.0011    1.4145 N   0  0  0  0  0
    1.2927    0.8604    2.1829 C   0  0  0  0  0
    2.0740    2.1190    2.5965 C   0  0  0  0  0
    3.1156    2.1480    1.5292 C   0  0  0  0  0
    3.1543    0.9072    0.8884 C   0  0  0  0  0
    4.0882    0.6834   -0.1061 C   0  0  0  0  0
    4.9632    1.7183   -0.4610 C   0  0  0  0  0
    4.9202    2.9791    0.1791 C   0  0  0  0  0
    3.9799    3.1827    1.1990 C   0  0  0  0  0
    5.9394    4.0220   -0.2422 C   0  0  0  0  0
    5.7781    5.3452    0.3949 N   0  0  0  0  0
    6.4659    5.6588    1.5595 C   0  0  0  0  0
    6.5248    6.8556    2.1605 C   0  0  0  0  0
    5.8111    7.9740    1.4961 C   0  0  0  0  0
    5.9334    9.1274    1.8891 O   0  0  0  0  0
    4.9691    7.6500    0.3140 C   0  0  0  0  0
    4.9664    6.3347   -0.2064 C   0  0  0  0  0
    4.1256    6.0744   -1.3052 C   0  0  0  0  0
    3.3459    7.0801   -1.8874 C   0  0  0  0  0
    3.3847    8.3707   -1.3768 C   0  0  0  0  0
    4.1890    8.6501   -0.2783 C   0  0  0  0  0
    4.1789    9.9060    0.1885 F   0  0  0  0  0
    7.2573    7.0288    3.4288 C   0  0  0  0  0
    7.1169    7.9180    4.2469 O   0  0  0  0  0
    8.1546    6.0478    3.6608 O   0  0  0  0  0
    0.8674   -1.5553    1.0167 H   0  0  0  0  0
    2.3895   -1.6710    0.1377 H   0  0  0  0  0
    1.1614   -0.4760   -0.3588 H   0  0  0  0  0
    0.4377    1.1472    1.5546 H   0  0  0  0  0
    0.8999    0.3307    3.0576 H   0  0  0  0  0
    1.4358    3.0066    2.5979 H   0  0  0  0  0
    2.5430    1.9888    3.5773 H   0  0  0  0  0
    4.1662   -0.2803   -0.5957 H   0  0  0  0  0
    5.7018    1.5272   -1.2377 H   0  0  0  0  0
    3.9179    4.1231    1.7375 H   0  0  0  0  0
    5.9495    4.1145   -1.3353 H   0  0  0  0  0
    6.9320    3.6263    0.0159 H   0  0  0  0  0
    6.9760    4.7985    1.9898 H   0  0  0  0  0
    4.0379    5.0773   -1.7292 H   0  0  0  0  0
    2.7060    6.8496   -2.7362 H   0  0  0  0  0
    2.7876    9.1636   -1.8177 H   0  0  0  0  0
    8.5470    6.3125    4.5208 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  3  1  0  0  0
  2  6  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 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 34  1  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 10 36  1  0  0  0
 11 12  1  0  0  0
 11 37  1  0  0  0
 11 38  1  0  0  0
 12 13  1  0  0  0
 12 18  1  0  0  0
 13 14  2  0  0  0
 13 39  1  0  0  0
 14 15  1  0  0  0
 14 24  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
 19 40  1  0  0  0
 20 21  1  0  0  0
 20 41  1  0  0  0
 21 22  2  0  0  0
 21 42  1  0  0  0
 22 23  1  0  0  0
 24 26  1  0  0  0
 24 25  2  0  0  0
 26 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1771699

>  <PubChem CID>
54582625

>  <Formula>
C20H17FN2O3

>  <Molecular Weight>
352.365000

>  <IUPAC Name>
5-fluoro-1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-4-oxoquinoline-3-carboxylic acid

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN1CCC2=C1C=CC(=C2)CN3C=C(C(=O)C4=C3C=CC=C4F)C(=O)O

>  <Isomeric SMILES>
CN1CCC2=C1C=CC(=C2)CN3C=C(C(=O)C4=C3C=CC=C4F)C(=O)O

>  <InChI Std. ID>
InChI=1S/C20H17FN2O3/c1-22-8-7-13-9-12(5-6-16(13)22)10-23-11-14(20(25)26)19(24)18-15(21)3-2-4-17(18)23/h2-6,9,11H,7-8,10H2,1H3,(H,25,26)

>  <InChI Key>
AOOZNNPZTYSEMI-UHFFFAOYSA-N

