
 CHEMBL3701951

 42 45  0  0  0  0  0  0  0  0999 V2000
   -3.0262   -1.8159   -1.5839 C   0  0  0  0  0
   -1.7974   -2.5610   -1.0451 C   0  0  0  0  0
   -0.6874   -1.6821   -0.8107 O   0  0  0  0  0
   -1.0236   -0.5836    0.0695 C   0  0  0  0  0
   -2.2610    0.1651   -0.5032 C   0  0  0  0  0
   -3.4391   -0.7076   -0.7031 N   0  0  0  0  0
   -1.0951   -1.0335    1.5274 C   0  0  0  0  0
   -0.2831   -2.0882    1.9769 C   0  0  0  0  0
   -0.3180   -2.5149    3.3091 C   0  0  0  0  0
   -1.1625   -1.8994    4.2364 C   0  0  0  0  0
   -1.9227   -0.8075    3.8112 C   0  0  0  0  0
   -1.8920   -0.3796    2.4776 C   0  0  0  0  0
   -1.1488   -2.3518    5.5710 N   0  0  0  0  0
   -2.1401   -2.1830    6.5478 C   0  0  0  0  0
   -1.7145   -1.8799    7.7897 N   0  0  0  0  0
   -2.6136   -1.7192    8.7924 C   0  0  0  0  0
   -3.9978   -1.8785    8.5612 C   0  0  0  0  0
   -4.9311   -1.7113    9.6000 C   0  0  0  0  0
   -4.5100   -1.3835   10.8844 C   0  0  0  0  0
   -3.1534   -1.2221   11.1360 C   0  0  0  0  0
   -2.2255   -1.3896   10.0996 C   0  0  0  0  0
   -0.5503   -1.1696   10.4939 Cl  0  0  0  0  0
   -4.4197   -2.2124    7.2722 C   0  0  0  0  0
   -3.4835   -2.3718    6.2592 C   0  0  0  0  0
   -2.8061   -1.4104   -2.5790 H   0  0  0  0  0
   -3.8619   -2.5144   -1.6981 H   0  0  0  0  0
   -1.4713   -3.3058   -1.7781 H   0  0  0  0  0
   -2.0421   -3.1005   -0.1237 H   0  0  0  0  0
   -0.1738    0.1090    0.0151 H   0  0  0  0  0
   -2.5468    1.0140    0.1248 H   0  0  0  0  0
   -1.9932    0.5909   -1.4796 H   0  0  0  0  0
   -3.6929   -1.1044    0.2037 H   0  0  0  0  0
    0.3839   -2.5975    1.2825 H   0  0  0  0  0
    0.3097   -3.3482    3.6157 H   0  0  0  0  0
   -2.5380   -0.2557    4.5181 H   0  0  0  0  0
   -2.4973    0.4824    2.2140 H   0  0  0  0  0
   -0.2587   -2.1516    6.0223 H   0  0  0  0  0
   -5.9958   -1.8375    9.4105 H   0  0  0  0  0
   -5.2353   -1.2555   11.6840 H   0  0  0  0  0
   -2.8172   -0.9667   12.1376 H   0  0  0  0  0
   -5.4734   -2.3577    7.0466 H   0  0  0  0  0
   -3.7996   -2.6531    5.2605 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
  2  3  1  0  0  0
  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
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 35  1  0  0  0
 12 36  1  0  0  0
 13 14  1  0  0  0
 13 37  1  0  0  0
 14 24  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 23  1  0  0  0
 17 18  1  0  0  0
 18 19  2  0  0  0
 18 38  1  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 20 21  2  0  0  0
 20 40  1  0  0  0
 21 22  1  0  0  0
 23 24  2  0  0  0
 23 41  1  0  0  0
 24 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3701951

>  <PubChem CID>
60200772

>  <Formula>
C19H18ClN3O

>  <Molecular Weight>
339.823000

>  <IUPAC Name>
8-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=C(C=CC=C4Cl)C=C3

>  <Isomeric SMILES>
C1CO[C@H](CN1)C2=CC=C(C=C2)NC3=NC4=C(C=CC=C4Cl)C=C3

>  <InChI Std. ID>
InChI=1S/C19H18ClN3O/c20-16-3-1-2-14-6-9-18(23-19(14)16)22-15-7-4-13(5-8-15)17-12-21-10-11-24-17/h1-9,17,21H,10-12H2,(H,22,23)/t17-/m1/s1

>  <InChI Key>
LQLYWBRGYCYYGN-QGZVFWFLSA-N

