
 CHEMBL143341

 63 66  0  0  0  0  0  0  0  0999 V2000
    3.1730    4.4717    3.5281 C   0  0  0  0  0
    3.5793    3.9215    2.1880 C   0  0  0  0  0
    4.0783    4.6288    1.3187 O   0  0  0  0  0
    3.3510    2.5740    2.0329 N   0  0  0  0  0
    3.6724    1.8723    0.8064 C   0  0  0  0  0
    5.0576    1.2378    0.8331 C   0  0  0  0  0
    6.1893    2.2620    0.8069 C   0  0  0  0  0
    7.4197    1.5383    0.6853 O   0  0  0  0  0
    8.4987    2.2729    0.2756 C   0  0  0  0  0
    9.5051    1.5410   -0.3604 C   0  0  0  0  0
   10.6408    2.1825   -0.8599 C   0  0  0  0  0
   10.7950    3.5608   -0.6820 C   0  0  0  0  0
    9.7925    4.2933   -0.0350 C   0  0  0  0  0
    8.6502    3.6492    0.4506 C   0  0  0  0  0
   11.9426    4.2940   -1.2748 C   0  0  0  0  0
   11.6932    5.3533   -1.8468 O   0  0  0  0  0
   13.2269    3.7391   -1.2156 N   0  0  0  0  0
   13.6948    2.9350   -0.0909 C   0  0  0  0  0
   14.6540    1.8652   -0.5834 C   0  0  0  0  0
   15.8565    2.4513   -1.3417 C   0  0  0  0  0
   15.4443    3.5687   -2.3303 C   0  0  0  0  0
   14.2838    4.4694   -1.9029 C   0  0  0  0  0
   17.0115    2.7094   -0.4335 N   0  0  0  0  0
   17.8655    1.6052   -0.0470 C   0  0  0  0  0
   17.7873    0.3212   -0.6121 C   0  0  0  0  0
   18.6561   -0.7046   -0.2172 C   0  0  0  0  0
   19.6109   -0.4757    0.7641 C   0  0  0  0  0
   19.6890    0.7771    1.3588 C   0  0  0  0  0
   18.8268    1.8114    0.9547 C   0  0  0  0  0
   18.8551    3.1130    1.6772 C   0  0  0  0  0
   18.3177    4.1633    0.8766 N   0  0  0  0  0
   17.2376    3.9831    0.0725 C   0  0  0  0  0
   16.5653    4.9795   -0.1738 O   0  0  0  0  0
    2.8514    3.6818    4.2118 H   0  0  0  0  0
    2.3481    5.1750    3.3897 H   0  0  0  0  0
    4.0281    4.9865    3.9741 H   0  0  0  0  0
    2.9715    2.0405    2.8044 H   0  0  0  0  0
    3.5749    2.5533   -0.0463 H   0  0  0  0  0
    2.9165    1.0879    0.6927 H   0  0  0  0  0
    5.1619    0.5768   -0.0366 H   0  0  0  0  0
    5.1690    0.5935    1.7140 H   0  0  0  0  0
    6.2045    2.8339    1.7411 H   0  0  0  0  0
    6.0499    2.9358   -0.0478 H   0  0  0  0  0
    9.3844    0.4696   -0.4983 H   0  0  0  0  0
   11.3844    1.6085   -1.4050 H   0  0  0  0  0
    9.8916    5.3716    0.0732 H   0  0  0  0  0
    7.8934    4.2469    0.9498 H   0  0  0  0  0
   12.8678    2.4705    0.4489 H   0  0  0  0  0
   14.1839    3.6069    0.6240 H   0  0  0  0  0
   14.9777    1.2433    0.2587 H   0  0  0  0  0
   14.1073    1.2033   -1.2689 H   0  0  0  0  0
   16.2084    1.6788   -2.0311 H   0  0  0  0  0
   16.3064    4.1696   -2.6417 H   0  0  0  0  0
   15.1011    3.0597   -3.2436 H   0  0  0  0  0
   14.5953    5.2847   -1.2457 H   0  0  0  0  0
   13.8753    4.9516   -2.7998 H   0  0  0  0  0
   17.0673    0.0618   -1.3793 H   0  0  0  0  0
   18.5816   -1.6847   -0.6828 H   0  0  0  0  0
   20.2827   -1.2723    1.0720 H   0  0  0  0  0
   20.4201    0.9476    2.1461 H   0  0  0  0  0
   18.2536    3.0427    2.5901 H   0  0  0  0  0
   19.8765    3.4003    1.9456 H   0  0  0  0  0
   18.3800    5.1102    1.2246 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 37  1  0  0  0
  5  6  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  6  7  1  0  0  0
  6 40  1  0  0  0
  6 41  1  0  0  0
  7  8  1  0  0  0
  7 42  1  0  0  0
  7 43  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 44  1  0  0  0
 11 12  2  0  0  0
 11 45  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
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 15 17  1  0  0  0
 15 16  2  0  0  0
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 20 21  1  0  0  0
 20 23  1  0  0  0
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 22 55  1  0  0  0
 22 56  1  0  0  0
 23 32  1  0  0  0
 23 24  1  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 57  1  0  0  0
 26 27  2  0  0  0
 26 58  1  0  0  0
 27 28  1  0  0  0
 27 59  1  0  0  0
 28 29  2  0  0  0
 28 60  1  0  0  0
 29 30  1  0  0  0
 30 31  1  0  0  0
 30 61  1  0  0  0
 30 62  1  0  0  0
 31 32  1  0  0  0
 31 63  1  0  0  0
 32 33  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL143341

>  <PubChem CID>
44361521

>  <Formula>
C25H30N4O4

>  <Molecular Weight>
450.539000

>  <IUPAC Name>
N-[3-[4-[4-(2-oxo-3,4-dihydroquinazolin-1-yl)piperidine-1-carbonyl]phenoxy]propyl]acetamide

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(=O)NCCCOC1=CC=C(C=C1)C(=O)N2CCC(CC2)N3C4=CC=CC=C4CNC3=O

>  <Isomeric SMILES>
CC(=O)NCCCOC1=CC=C(C=C1)C(=O)N2CCC(CC2)N3C4=CC=CC=C4CNC3=O

>  <InChI Std. ID>
InChI=1S/C25H30N4O4/c1-18(30)26-13-4-16-33-22-9-7-19(8-10-22)24(31)28-14-11-21(12-15-28)29-23-6-3-2-5-20(23)17-27-25(29)32/h2-3,5-10,21H,4,11-17H2,1H3,(H,26,30)(H,27,32)

>  <InChI Key>
ARYCLQZCSNCCEN-UHFFFAOYSA-N

