
 CHEMBL97204

 44 47  0  0  0  0  0  0  0  0999 V2000
    0.8905    1.1380    0.0294 C   0  0  0  0  0
   -0.5837    0.9980   -0.3799 C   0  0  0  0  0
   -0.7967   -0.1568   -1.2075 O   0  0  0  0  0
   -0.4196   -1.3450   -0.4943 C   0  0  0  0  0
    1.0649   -1.3180   -0.0989 C   0  0  0  0  0
    1.3550   -0.1012    0.6754 N   0  0  0  0  0
    2.6564   -0.0284    1.1743 C   0  0  0  0  0
    3.1381    1.1680    1.5384 N   0  0  0  0  0
    4.3806    1.2539    2.0201 C   0  0  0  0  0
    5.2058    0.1398    2.1694 C   0  0  0  0  0
    6.5386    0.3139    2.6281 C   0  0  0  0  0
    7.0172    1.5749    2.9756 C   0  0  0  0  0
    6.1746    2.6770    2.8588 C   0  0  0  0  0
    4.8688    2.5028    2.3793 C   0  0  0  0  0
    6.6139    4.0402    3.2280 C   0  0  0  0  0
    5.9026    5.0246    3.2927 O   0  0  0  0  0
    7.9329    4.1126    3.4740 O   0  0  0  0  0
    4.6024   -1.0793    1.8280 C   0  0  0  0  0
    3.3609   -1.1578    1.3156 N   0  0  0  0  0
    5.2560   -2.3224    1.9789 N   0  0  0  0  0
    5.8266   -2.8278    3.1734 C   0  0  0  0  0
    6.7645   -3.8638    3.0752 C   0  0  0  0  0
    7.3540   -4.4053    4.2213 C   0  0  0  0  0
    6.9867   -3.9289    5.4768 C   0  0  0  0  0
    6.0238   -2.9307    5.5957 C   0  0  0  0  0
    5.4358   -2.3923    4.4468 C   0  0  0  0  0
    7.7221   -4.5809    6.8886 Cl  0  0  0  0  0
    1.4945    1.3299   -0.8671 H   0  0  0  0  0
    0.9728    2.0013    0.7003 H   0  0  0  0  0
   -0.8954    1.8778   -0.9518 H   0  0  0  0  0
   -1.2314    0.9278    0.5024 H   0  0  0  0  0
   -1.0603   -1.4486    0.3898 H   0  0  0  0  0
   -0.6143   -2.2008   -1.1483 H   0  0  0  0  0
    1.2764   -2.2243    0.4803 H   0  0  0  0  0
    1.6789   -1.3284   -1.0090 H   0  0  0  0  0
    7.2090   -0.5381    2.7109 H   0  0  0  0  0
    8.0374    1.6804    3.3357 H   0  0  0  0  0
    4.2136    3.3670    2.2783 H   0  0  0  0  0
    8.0845    5.0592    3.6793 H   0  0  0  0  0
    4.5827   -3.0048    1.6265 H   0  0  0  0  0
    7.0620   -4.2362    2.0974 H   0  0  0  0  0
    8.0981   -5.1913    4.1250 H   0  0  0  0  0
    5.7231   -2.5671    6.5746 H   0  0  0  0  0
    4.6724   -1.6265    4.5639 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  6  7  1  0  0  0
  7 19  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 18  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 36  1  0  0  0
 12 13  1  0  0  0
 12 37  1  0  0  0
 13 14  2  0  0  0
 13 15  1  0  0  0
 14 38  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 39  1  0  0  0
 18 19  2  0  0  0
 18 20  1  0  0  0
 20 21  1  0  0  0
 20 40  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 41  1  0  0  0
 23 24  2  0  0  0
 23 42  1  0  0  0
 24 25  1  0  0  0
 24 27  1  0  0  0
 25 26  2  0  0  0
 25 43  1  0  0  0
 26 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL97204

>  <PubChem CID>
44329015

>  <Formula>
C19H17ClN4O3

>  <Molecular Weight>
384.820000

>  <IUPAC Name>
4-(4-chloroanilino)-2-morpholin-4-ylquinazoline-7-carboxylic acid

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1COCCN1C2=NC3=C(C=CC(=C3)C(=O)O)C(=N2)NC4=CC=C(C=C4)Cl

>  <Isomeric SMILES>
C1COCCN1C2=NC3=C(C=CC(=C3)C(=O)O)C(=N2)NC4=CC=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C19H17ClN4O3/c20-13-2-4-14(5-3-13)21-17-15-6-1-12(18(25)26)11-16(15)22-19(23-17)24-7-9-27-10-8-24/h1-6,11H,7-10H2,(H,25,26)(H,21,22,23)

>  <InChI Key>
QJFDZMLOPUQPAS-UHFFFAOYSA-N

