
 SCHEMBL16944797

 58 62  0  0  0  0  0  0  0  0999 V2000
    2.8727   -0.6294    4.4282 C   0  0  0  0  0
    4.1136   -0.6165    3.5876 C   0  0  0  0  0
    4.1895   -1.3825    2.4189 C   0  0  0  0  0
    5.3576   -1.3822    1.6317 C   0  0  0  0  0
    5.4630   -2.1155    0.4433 C   0  0  0  0  0
    6.6333   -2.0747   -0.3355 C   0  0  0  0  0
    7.6988   -1.2913    0.1418 C   0  0  0  0  0
    7.5963   -0.5821    1.2972 N   0  0  0  0  0
    6.4682   -0.6210    2.0185 C   0  0  0  0  0
    6.3865    0.1156    3.1935 C   0  0  0  0  0
    5.2308    0.1231    3.9782 C   0  0  0  0  0
    8.9275   -1.2145   -0.5535 N   0  0  0  0  0
    9.7855   -2.3673   -0.2167 C   0  0  0  0  0
   11.0391   -2.3248   -1.0941 C   0  0  0  0  0
   11.8414   -1.0209   -0.8670 C   0  0  0  0  0
   10.8659    0.1305   -1.2124 C   0  0  0  0  0
    9.6116    0.0756   -0.3382 C   0  0  0  0  0
   12.4093   -0.9145    0.5060 N   0  0  0  0  0
   13.2553   -2.0515    0.9122 C   0  0  0  0  0
   14.6060   -2.0957    0.1953 C   0  0  0  0  0
   15.3706   -0.7907    0.3935 C   0  0  0  0  0
   14.4988    0.4150    0.0560 C   0  0  0  0  0
   13.1458    0.3364    0.7678 C   0  0  0  0  0
    6.6398   -2.8210   -1.5922 C   0  0  0  0  0
    5.7625   -3.7007   -2.0388 N   0  0  0  0  0
    6.2776   -4.0327   -3.2652 C   0  0  0  0  0
    7.4150   -3.4098   -3.5901 N   0  0  0  0  0
    7.6494   -2.5884   -2.4855 O   0  0  0  0  0
    5.6239   -4.9943   -4.1712 C   0  0  0  0  0
    2.8240    0.2522    5.0756 H   0  0  0  0  0
    2.8539   -1.5257    5.0572 H   0  0  0  0  0
    1.9784   -0.6175    3.7957 H   0  0  0  0  0
    3.3308   -1.9772    2.1121 H   0  0  0  0  0
    4.6173   -2.7134    0.1053 H   0  0  0  0  0
    7.2489    0.7021    3.5023 H   0  0  0  0  0
    5.2143    0.7153    4.8894 H   0  0  0  0  0
    9.2672   -3.3137   -0.4123 H   0  0  0  0  0
   10.0545   -2.3599    0.8476 H   0  0  0  0  0
   11.6496   -3.2179   -0.9342 H   0  0  0  0  0
   10.7357   -2.3708   -2.1498 H   0  0  0  0  0
   12.6540   -0.9994   -1.6030 H   0  0  0  0  0
   11.3409    1.1125   -1.1332 H   0  0  0  0  0
   10.5694    0.0374   -2.2667 H   0  0  0  0  0
    9.8862    0.2240    0.7140 H   0  0  0  0  0
    8.9495    0.8995   -0.6343 H   0  0  0  0  0
   12.7372   -3.0078    0.8000 H   0  0  0  0  0
   13.4339   -1.9740    1.9937 H   0  0  0  0  0
   15.2010   -2.9294    0.5851 H   0  0  0  0  0
   14.4630   -2.2841   -0.8752 H   0  0  0  0  0
   15.6933   -0.7191    1.4398 H   0  0  0  0  0
   16.2772   -0.7861   -0.2209 H   0  0  0  0  0
   15.0171    1.3332    0.3557 H   0  0  0  0  0
   14.3536    0.4756   -1.0289 H   0  0  0  0  0
   13.3154    0.4099    1.8509 H   0  0  0  0  0
   12.5469    1.2208    0.5334 H   0  0  0  0  0
    5.3385   -4.5049   -5.1078 H   0  0  0  0  0
    4.7195   -5.4093   -3.7160 H   0  0  0  0  0
    6.2981   -5.8240   -4.4058 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 11  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 33  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  6  7  2  0  0  0
  6 24  1  0  0  0
  7  8  1  0  0  0
  7 12  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 35  1  0  0  0
 11 36  1  0  0  0
 12 17  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 37  1  0  0  0
 13 38  1  0  0  0
 14 15  1  0  0  0
 14 39  1  0  0  0
 14 40  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 15 41  1  0  0  0
 16 17  1  0  0  0
 16 42  1  0  0  0
 16 43  1  0  0  0
 17 44  1  0  0  0
 17 45  1  0  0  0
 18 23  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 46  1  0  0  0
 19 47  1  0  0  0
 20 21  1  0  0  0
 20 48  1  0  0  0
 20 49  1  0  0  0
 21 22  1  0  0  0
 21 50  1  0  0  0
 21 51  1  0  0  0
 22 23  1  0  0  0
 22 52  1  0  0  0
 22 53  1  0  0  0
 23 54  1  0  0  0
 23 55  1  0  0  0
 24 28  1  0  0  0
 24 25  2  0  0  0
 25 26  1  0  0  0
 26 27  2  0  0  0
 26 29  1  0  0  0
 27 28  1  0  0  0
 29 56  1  0  0  0
 29 57  1  0  0  0
 29 58  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL16944797

>  <PubChem CID>
118263831

>  <Formula>
C23H29N5O

>  <Molecular Weight>
391.519000

>  <IUPAC Name>
3-methyl-5-[6-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)quinolin-3-yl]-1,2,4-oxadiazole

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC2=CC(=C(N=C2C=C1)N3CCC(CC3)N4CCCCC4)C5=NC(=NO5)C

>  <Isomeric SMILES>
CC1=CC2=CC(=C(N=C2C=C1)N3CCC(CC3)N4CCCCC4)C5=NC(=NO5)C

>  <InChI Std. ID>
InChI=1S/C23H29N5O/c1-16-6-7-21-18(14-16)15-20(23-24-17(2)26-29-23)22(25-21)28-12-8-19(9-13-28)27-10-4-3-5-11-27/h6-7,14-15,19H,3-5,8-13H2,1-2H3

>  <InChI Key>
ADLYKPKJJUYYPL-UHFFFAOYSA-N

