
 CHEMBL97520

 47 50  0  0  0  0  0  0  0  0999 V2000
    0.9888   -0.5861    0.2047 C   0  0  0  0  0
    2.4017   -0.3843    0.1623 O   0  0  0  0  0
    2.7785    0.9089    0.0130 C   0  0  0  0  0
    2.0294    1.8668   -0.0882 O   0  0  0  0  0
    4.2596    1.0286    0.0106 C   0  0  0  0  0
    5.0925   -0.0936    0.0985 C   0  0  0  0  0
    6.4732    0.0220    0.1330 C   0  0  0  0  0
    7.0587    1.2891    0.0848 C   0  0  0  0  0
    6.2235    2.4308   -0.0396 C   0  0  0  0  0
    4.8344    2.2976   -0.0720 C   0  0  0  0  0
    8.4606    1.2901    0.1841 C   0  0  0  0  0
    9.1597    0.1444    0.2716 N   0  0  0  0  0
    8.5129   -1.0245    0.2863 C   0  0  0  0  0
    7.1800   -1.1019    0.2256 N   0  0  0  0  0
    9.2534   -2.2072    0.3439 N   0  0  0  0  0
    8.4934   -3.3575    0.8578 C   0  0  0  0  0
    9.3600   -4.6242    0.8199 C   0  0  0  0  0
   10.5979   -4.4379    1.5236 O   0  0  0  0  0
   11.3484   -3.3748    0.9159 C   0  0  0  0  0
   10.5814   -2.0447    0.9566 C   0  0  0  0  0
    9.1579    2.5345    0.2109 N   0  0  0  0  0
   10.5601    2.7283    0.2829 C   0  0  0  0  0
   11.4813    1.8638   -0.3232 C   0  0  0  0  0
   12.8590    2.0853   -0.2204 C   0  0  0  0  0
   13.3295    3.2040    0.4581 C   0  0  0  0  0
   12.4337    4.1135    1.0113 C   0  0  0  0  0
   11.0572    3.8824    0.9105 C   0  0  0  0  0
   15.0223    3.4695    0.6055 Cl  0  0  0  0  0
    0.8055   -1.6554    0.3407 H   0  0  0  0  0
    0.5287   -0.2720   -0.7373 H   0  0  0  0  0
    0.5494   -0.0493    1.0513 H   0  0  0  0  0
    4.6656   -1.0929    0.1514 H   0  0  0  0  0
    6.6523    3.4278   -0.1169 H   0  0  0  0  0
    4.2065    3.1830   -0.1568 H   0  0  0  0  0
    7.5954   -3.5459    0.2571 H   0  0  0  0  0
    8.1902   -3.1626    1.8949 H   0  0  0  0  0
    8.8268   -5.4518    1.2984 H   0  0  0  0  0
    9.5779   -4.9212   -0.2131 H   0  0  0  0  0
   12.2899   -3.2767    1.4654 H   0  0  0  0  0
   11.5926   -3.6561   -0.1157 H   0  0  0  0  0
   10.4670   -1.7292    2.0019 H   0  0  0  0  0
   11.1807   -1.2961    0.4257 H   0  0  0  0  0
    8.6828    3.1540    0.8592 H   0  0  0  0  0
   11.1386    0.9957   -0.8806 H   0  0  0  0  0
   13.5507    1.3803   -0.6729 H   0  0  0  0  0
   12.7960    5.0001    1.5242 H   0  0  0  0  0
   10.3774    4.6093    1.3475 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  7  8  2  0  0  0
  7 14  1  0  0  0
  8 11  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 33  1  0  0  0
 10 34  1  0  0  0
 11 12  2  0  0  0
 11 21  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 15  1  0  0  0
 15 20  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 35  1  0  0  0
 16 36  1  0  0  0
 17 18  1  0  0  0
 17 37  1  0  0  0
 17 38  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 19 40  1  0  0  0
 20 41  1  0  0  0
 20 42  1  0  0  0
 21 22  1  0  0  0
 21 43  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 44  1  0  0  0
 24 25  2  0  0  0
 24 45  1  0  0  0
 25 26  1  0  0  0
 25 28  1  0  0  0
 26 27  2  0  0  0
 26 46  1  0  0  0
 27 47  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL97520

>  <PubChem CID>
44329001

>  <Formula>
C20H19ClN4O3

>  <Molecular Weight>
398.847000

>  <IUPAC Name>
methyl 4-(4-chloroanilino)-2-morpholin-4-ylquinazoline-7-carboxylate

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
COC(=O)C1=CC2=C(C=C1)C(=NC(=N2)N3CCOCC3)NC4=CC=C(C=C4)Cl

>  <Isomeric SMILES>
COC(=O)C1=CC2=C(C=C1)C(=NC(=N2)N3CCOCC3)NC4=CC=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C20H19ClN4O3/c1-27-19(26)13-2-7-16-17(12-13)23-20(25-8-10-28-11-9-25)24-18(16)22-15-5-3-14(21)4-6-15/h2-7,12H,8-11H2,1H3,(H,22,23,24)

>  <InChI Key>
DLRPQGLEJGWWKW-UHFFFAOYSA-N

