
 CHEMBL3291075

 48 50  0  0  0  0  0  0  0  0999 V2000
    2.4359    2.6254    1.5641 C   0  0  0  0  0
    3.7618    2.3495    1.1267 O   0  0  0  0  0
    3.8128    1.4656    0.0679 C   0  0  0  0  0
    2.6813    0.9536   -0.4407 N   0  0  0  0  0
    2.7743    0.1003   -1.4700 C   0  0  0  0  0
    1.5832   -0.4075   -1.9700 C   0  0  0  0  0
    1.5479   -1.3034   -3.0374 C   0  0  0  0  0
    2.7349   -1.7070   -3.6238 C   0  0  0  0  0
    3.9458   -1.2109   -3.1385 C   0  0  0  0  0
    4.0028   -0.2937   -2.0517 C   0  0  0  0  0
    5.1805    0.2731   -1.4813 C   0  0  0  0  0
    5.0661    1.1639   -0.4071 C   0  0  0  0  0
    6.5554   -0.0582   -1.9819 C   0  0  0  0  0
    6.8169   -0.7928   -2.9198 O   0  0  0  0  0
    7.4878    0.5626   -1.2104 O   0  0  0  0  0
    8.8610    0.2479   -1.4899 C   0  0  0  0  0
    9.2387   -1.0482   -0.7794 C   0  0  0  0  0
   10.6921   -1.4266   -1.0665 C   0  0  0  0  0
   11.1306   -2.6676   -0.4036 N   0  0  0  0  0
   10.3445   -3.8590   -0.7635 C   0  0  0  0  0
   10.5197   -4.2862   -2.2213 C   0  0  0  0  0
   11.9914   -4.5246   -2.5457 C   0  0  0  0  0
   12.8652   -3.3547   -2.0994 C   0  0  0  0  0
   12.5593   -2.9290   -0.6584 C   0  0  0  0  0
    2.5007    3.3487    2.3827 H   0  0  0  0  0
    1.9524    1.7229    1.9533 H   0  0  0  0  0
    1.8397    3.0802    0.7655 H   0  0  0  0  0
    0.6464   -0.0949   -1.5122 H   0  0  0  0  0
    0.5964   -1.6796   -3.4031 H   0  0  0  0  0
    2.7269   -2.4057   -4.4569 H   0  0  0  0  0
    4.8492   -1.5593   -3.6327 H   0  0  0  0  0
    5.9257    1.6232    0.0686 H   0  0  0  0  0
    9.4637    1.0791   -1.1089 H   0  0  0  0  0
    9.0351    0.1914   -2.5711 H   0  0  0  0  0
    8.5537   -1.8337   -1.1137 H   0  0  0  0  0
    9.0728   -0.9380    0.2995 H   0  0  0  0  0
   11.3237   -0.6044   -0.7048 H   0  0  0  0  0
   10.8364   -1.4746   -2.1514 H   0  0  0  0  0
    9.2832   -3.7211   -0.5346 H   0  0  0  0  0
   10.6566   -4.6869   -0.1122 H   0  0  0  0  0
    9.9509   -5.2046   -2.4057 H   0  0  0  0  0
   10.1076   -3.5246   -2.8939 H   0  0  0  0  0
   12.3263   -5.4368   -2.0370 H   0  0  0  0  0
   12.1144   -4.6956   -3.6209 H   0  0  0  0  0
   13.9210   -3.6378   -2.1804 H   0  0  0  0  0
   12.7195   -2.5087   -2.7811 H   0  0  0  0  0
   12.8940   -3.7208    0.0249 H   0  0  0  0  0
   13.1583   -2.0479   -0.3969 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  3 12  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  7  8  2  0  0  0
  7 29  1  0  0  0
  8  9  1  0  0  0
  8 30  1  0  0  0
  9 10  2  0  0  0
  9 31  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 12 32  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 33  1  0  0  0
 16 34  1  0  0  0
 17 18  1  0  0  0
 17 35  1  0  0  0
 17 36  1  0  0  0
 18 19  1  0  0  0
 18 37  1  0  0  0
 18 38  1  0  0  0
 19 24  1  0  0  0
 19 20  1  0  0  0
 20 21  1  0  0  0
 20 39  1  0  0  0
 20 40  1  0  0  0
 21 22  1  0  0  0
 21 41  1  0  0  0
 21 42  1  0  0  0
 22 23  1  0  0  0
 22 43  1  0  0  0
 22 44  1  0  0  0
 23 24  1  0  0  0
 23 45  1  0  0  0
 23 46  1  0  0  0
 24 47  1  0  0  0
 24 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3291075

>  <PubChem CID>
90644470

>  <Formula>
C19H24N2O3

>  <Molecular Weight>
328.412000

>  <IUPAC Name>
3-piperidin-1-ylpropyl 2-methoxyquinoline-4-carboxylate

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=NC2=CC=CC=C2C(=C1)C(=O)OCCCN3CCCCC3

>  <Isomeric SMILES>
COC1=NC2=CC=CC=C2C(=C1)C(=O)OCCCN3CCCCC3

>  <InChI Std. ID>
InChI=1S/C19H24N2O3/c1-23-18-14-16(15-8-3-4-9-17(15)20-18)19(22)24-13-7-12-21-10-5-2-6-11-21/h3-4,8-9,14H,2,5-7,10-13H2,1H3

>  <InChI Key>
FAQNHPRUYWURCC-UHFFFAOYSA-N

