
 ethyl 1-(3-benzoylquinolin-4-yl)piperidine-3-carboxylate

 53 56  0  0  0  0  0  0  0  0999 V2000
    3.2474    2.6801   -6.1560 C   0  0  0  0  0
    2.3828    3.1598   -5.0049 C   0  0  0  0  0
    3.2033    3.8524   -4.0513 O   0  0  0  0  0
    3.7649    3.0792   -3.0823 C   0  0  0  0  0
    3.5495    1.8848   -2.9248 O   0  0  0  0  0
    4.6955    3.9040   -2.2215 C   0  0  0  0  0
    5.8162    3.0178   -1.6516 C   0  0  0  0  0
    6.6556    3.7672   -0.6181 C   0  0  0  0  0
    5.7643    4.3432    0.4820 C   0  0  0  0  0
    4.7792    5.2211   -0.1525 N   0  0  0  0  0
    3.8741    4.5651   -1.1144 C   0  0  0  0  0
    4.1874    6.2073    0.6586 C   0  0  0  0  0
    4.5417    7.5497    0.4317 C   0  0  0  0  0
    3.9236    8.5560    1.1484 C   0  0  0  0  0
    2.9981    8.3303    2.1013 N   0  0  0  0  0
    2.6435    7.0603    2.3426 C   0  0  0  0  0
    1.6623    6.8558    3.3024 C   0  0  0  0  0
    1.2068    5.5812    3.6359 C   0  0  0  0  0
    1.7523    4.4768    3.0034 C   0  0  0  0  0
    2.7408    4.6568    2.0345 C   0  0  0  0  0
    3.2061    5.9455    1.6655 C   0  0  0  0  0
    5.5105    7.9664   -0.5921 C   0  0  0  0  0
    5.0726    8.4346   -1.6388 O   0  0  0  0  0
    6.9786    7.9264   -0.3287 C   0  0  0  0  0
    7.5187    7.5271    0.9003 C   0  0  0  0  0
    8.9038    7.5287    1.0938 C   0  0  0  0  0
    9.7545    7.9469    0.0713 C   0  0  0  0  0
    9.2245    8.3627   -1.1484 C   0  0  0  0  0
    7.8426    8.3501   -1.3486 C   0  0  0  0  0
    2.6442    2.1740   -6.9145 H   0  0  0  0  0
    4.0211    1.9900   -5.8038 H   0  0  0  0  0
    3.7653    3.5252   -6.6219 H   0  0  0  0  0
    1.8357    2.3296   -4.5433 H   0  0  0  0  0
    1.6369    3.8724   -5.3713 H   0  0  0  0  0
    5.1656    4.6740   -2.8474 H   0  0  0  0  0
    6.4587    2.6630   -2.4665 H   0  0  0  0  0
    5.3928    2.1226   -1.1782 H   0  0  0  0  0
    7.3994    3.0915   -0.1824 H   0  0  0  0  0
    7.2035    4.5776   -1.1156 H   0  0  0  0  0
    5.2803    3.5280    1.0303 H   0  0  0  0  0
    6.3881    4.8926    1.1943 H   0  0  0  0  0
    3.2490    3.8143   -0.6173 H   0  0  0  0  0
    3.1925    5.3013   -1.5612 H   0  0  0  0  0
    4.1554    9.6025    0.9688 H   0  0  0  0  0
    1.2302    7.7207    3.8020 H   0  0  0  0  0
    0.4295    5.4601    4.3856 H   0  0  0  0  0
    1.4096    3.4764    3.2554 H   0  0  0  0  0
    3.1431    3.7662    1.5642 H   0  0  0  0  0
    6.8835    7.2124    1.7230 H   0  0  0  0  0
    9.3199    7.2104    2.0469 H   0  0  0  0  0
   10.8309    7.9560    0.2265 H   0  0  0  0  0
    9.8839    8.7020   -1.9436 H   0  0  0  0  0
    7.4394    8.6826   -2.3035 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6 11  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  8 38  1  0  0  0
  8 39  1  0  0  0
  9 10  1  0  0  0
  9 40  1  0  0  0
  9 41  1  0  0  0
 10 11  1  0  0  0
 10 12  1  0  0  0
 11 42  1  0  0  0
 11 43  1  0  0  0
 12 13  2  0  0  0
 12 21  1  0  0  0
 13 14  1  0  0  0
 13 22  1  0  0  0
 14 15  2  0  0  0
 14 44  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 45  1  0  0  0
 18 19  2  0  0  0
 18 46  1  0  0  0
 19 20  1  0  0  0
 19 47  1  0  0  0
 20 21  2  0  0  0
 20 48  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 49  1  0  0  0
 26 27  2  0  0  0
 26 50  1  0  0  0
 27 28  1  0  0  0
 27 51  1  0  0  0
 28 29  2  0  0  0
 28 52  1  0  0  0
 29 53  1  0  0  0
M  END

>  <Chemical Name>
ethyl 1-(3-benzoylquinolin-4-yl)piperidine-3-carboxylate

>  <PubChem CID>
6620095

>  <Formula>
C24H24N2O3

>  <Molecular Weight>
388.467000

>  <IUPAC Name>
ethyl 1-(3-benzoylquinolin-4-yl)piperidine-3-carboxylate

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCOC(=O)C1CCCN(C1)C2=C(C=NC3=CC=CC=C32)C(=O)C4=CC=CC=C4

>  <Isomeric SMILES>
CCOC(=O)C1CCCN(C1)C2=C(C=NC3=CC=CC=C32)C(=O)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C24H24N2O3/c1-2-29-24(28)18-11-8-14-26(16-18)22-19-12-6-7-13-21(19)25-15-20(22)23(27)17-9-4-3-5-10-17/h3-7,9-10,12-13,15,18H,2,8,11,14,16H2,1H3

>  <InChI Key>
AEALXMXNXIICRD-UHFFFAOYSA-N

