
 CHEMBL3701953

 42 45  0  0  0  0  0  0  0  0999 V2000
   -3.3805   -1.5046   -1.3247 C   0  0  0  0  0
   -2.4699   -2.5504   -0.6666 C   0  0  0  0  0
   -1.1063   -2.1086   -0.6074 O   0  0  0  0  0
   -0.9676   -0.8487    0.0883 C   0  0  0  0  0
   -1.9099    0.2108   -0.5505 C   0  0  0  0  0
   -3.3279   -0.2055   -0.6304 N   0  0  0  0  0
   -1.0448   -1.0637    1.5953 C   0  0  0  0  0
   -0.2693   -2.0825    2.1741 C   0  0  0  0  0
   -0.3075   -2.3294    3.5509 C   0  0  0  0  0
   -1.1264   -1.5723    4.3937 C   0  0  0  0  0
   -1.8701   -0.5343    3.8257 C   0  0  0  0  0
   -1.8257   -0.2765    2.4494 C   0  0  0  0  0
   -1.1769   -1.8967    5.7601 N   0  0  0  0  0
   -2.1532   -1.6339    6.7238 C   0  0  0  0  0
   -1.7140   -1.4644    7.9870 N   0  0  0  0  0
   -2.5988   -1.2309    8.9736 C   0  0  0  0  0
   -2.1177   -1.0478   10.2638 C   0  0  0  0  0
   -2.9677   -0.8011   11.3449 C   0  0  0  0  0
   -4.3379   -0.7322   11.1402 C   0  0  0  0  0
   -4.8475   -0.9129    9.8565 C   0  0  0  0  0
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   -4.4166   -1.3670    7.4330 C   0  0  0  0  0
   -3.5017   -1.6099    6.4167 C   0  0  0  0  0
   -6.0920   -1.3339    6.9926 Cl  0  0  0  0  0
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   -1.5689    0.4047   -1.5761 H   0  0  0  0  0
   -3.6757   -0.3467    0.3186 H   0  0  0  0  0
    0.3628   -2.7066    1.5437 H   0  0  0  0  0
    0.2885   -3.1435    3.9572 H   0  0  0  0  0
   -2.4807    0.1128    4.4497 H   0  0  0  0  0
   -2.4175    0.5541    2.0757 H   0  0  0  0  0
   -0.2638   -1.9178    6.2044 H   0  0  0  0  0
   -1.0441   -1.0996   10.4349 H   0  0  0  0  0
   -2.5544   -0.6636   12.3407 H   0  0  0  0  0
   -5.0095   -0.5415   11.9733 H   0  0  0  0  0
   -5.9250   -0.8570    9.7175 H   0  0  0  0  0
   -3.8402   -1.8012    5.4051 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
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  2 27  1  0  0  0
  2 28  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  6 32  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  9 10  2  0  0  0
  9 34  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3701953

>  <PubChem CID>
68325549

>  <Formula>
C19H18ClN3O

>  <Molecular Weight>
339.823000

>  <IUPAC Name>
4-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]quinolin-2-amine

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1COC(CN1)C2=CC=C(C=C2)NC3=NC4=CC=CC=C4C(=C3)Cl

>  <Isomeric SMILES>
C1CO[C@H](CN1)C2=CC=C(C=C2)NC3=NC4=CC=CC=C4C(=C3)Cl

>  <InChI Std. ID>
InChI=1S/C19H18ClN3O/c20-16-11-19(23-17-4-2-1-3-15(16)17)22-14-7-5-13(6-8-14)18-12-21-9-10-24-18/h1-8,11,18,21H,9-10,12H2,(H,22,23)/t18-/m1/s1

>  <InChI Key>
LHGVGOKKZJIOFM-GOSISDBHSA-N

