
 CHEMBL3701950

 45 48  0  0  0  0  0  0  0  0999 V2000
   -3.6477    1.5376   -1.7662 C   0  0  0  0  0
   -3.5375    0.0151   -1.6134 C   0  0  0  0  0
   -2.1733   -0.4269   -1.5484 O   0  0  0  0  0
   -1.4266    0.2286   -0.4957 C   0  0  0  0  0
   -1.5415    1.7694   -0.6749 C   0  0  0  0  0
   -2.9371    2.2595   -0.6954 N   0  0  0  0  0
   -1.7749   -0.3376    0.8784 C   0  0  0  0  0
   -2.2092   -1.6661    1.0009 C   0  0  0  0  0
   -2.5191   -2.2233    2.2481 C   0  0  0  0  0
   -2.4018   -1.4781    3.4218 C   0  0  0  0  0
   -1.8891   -0.1797    3.3071 C   0  0  0  0  0
   -1.5911    0.3879    2.0605 C   0  0  0  0  0
   -2.6123   -2.0061    4.6989 N   0  0  0  0  0
   -3.6110   -3.0522    4.8898 C   0  0  0  0  0
   -3.4587   -3.6085    6.2770 C   0  0  0  0  0
   -2.4042   -4.4894    6.5508 C   0  0  0  0  0
   -2.2084   -4.9851    7.8443 C   0  0  0  0  0
   -1.1534   -5.8636    8.1447 C   0  0  0  0  0
   -0.9716   -6.3234    9.4478 C   0  0  0  0  0
   -1.8447   -5.9114   10.4476 C   0  0  0  0  0
   -2.8964   -5.0421   10.1416 C   0  0  0  0  0
   -3.1000   -4.5676    8.8528 C   0  0  0  0  0
   -4.1192   -3.7284    8.6082 N   0  0  0  0  0
   -4.2736   -3.2686    7.3457 C   0  0  0  0  0
   -5.5933   -2.1728    7.2047 Cl  0  0  0  0  0
   -3.2302    1.8424   -2.7333 H   0  0  0  0  0
   -4.7019    1.8339   -1.7616 H   0  0  0  0  0
   -3.9954   -0.4750   -2.4789 H   0  0  0  0  0
   -4.0804   -0.3271   -0.7253 H   0  0  0  0  0
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   -0.9845    2.3094    0.0966 H   0  0  0  0  0
   -1.0776    2.0466   -1.6308 H   0  0  0  0  0
   -3.3699    2.0097    0.1962 H   0  0  0  0  0
   -2.3059   -2.2915    0.1142 H   0  0  0  0  0
   -2.8281   -3.2627    2.2667 H   0  0  0  0  0
   -1.7104    0.4145    4.2008 H   0  0  0  0  0
   -1.1963    1.3999    2.0501 H   0  0  0  0  0
   -2.7094   -1.2668    5.3923 H   0  0  0  0  0
   -3.4727   -3.8855    4.1913 H   0  0  0  0  0
   -4.6159   -2.6583    4.7057 H   0  0  0  0  0
   -1.7215   -4.7677    5.7498 H   0  0  0  0  0
   -0.4651   -6.1874    7.3668 H   0  0  0  0  0
   -0.1540   -7.0007    9.6777 H   0  0  0  0  0
   -1.7097   -6.2601   11.4679 H   0  0  0  0  0
   -3.5722   -4.7220   10.9317 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6 33  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  9 10  2  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
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 11 12  2  0  0  0
 11 36  1  0  0  0
 12 37  1  0  0  0
 13 14  1  0  0  0
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 14 15  1  0  0  0
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 15 24  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 16 41  1  0  0  0
 17 22  1  0  0  0
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 24 25  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3701950

>  <PubChem CID>
86766836

>  <Formula>
C20H20ClN3O

>  <Molecular Weight>
353.850000

>  <IUPAC Name>
N-[(2-chloroquinolin-3-yl)methyl]-4-[(2S)-morpholin-2-yl]aniline

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1COC(CN1)C2=CC=C(C=C2)NCC3=CC4=CC=CC=C4N=C3Cl

>  <Isomeric SMILES>
C1CO[C@H](CN1)C2=CC=C(C=C2)NCC3=CC4=CC=CC=C4N=C3Cl

>  <InChI Std. ID>
InChI=1S/C20H20ClN3O/c21-20-16(11-15-3-1-2-4-18(15)24-20)12-23-17-7-5-14(6-8-17)19-13-22-9-10-25-19/h1-8,11,19,22-23H,9-10,12-13H2/t19-/m1/s1

>  <InChI Key>
BQDOGNWVKQRWBL-LJQANCHMSA-N

