
 CHEMBL446459

 39 40  0  0  0  0  0  0  0  0999 V2000
    0.7621   -3.6810    2.9605 C   0  0  0  0  0
    2.0773   -2.9105    2.8539 C   0  0  0  0  0
    2.7546   -3.1649    1.5322 C   0  0  0  0  0
    2.5812   -2.2251    0.5057 C   0  0  0  0  0
    3.0986   -2.4798   -0.7758 C   0  0  0  0  0
    3.8958   -3.6095   -0.9788 C   0  0  0  0  0
    4.0987   -4.5261    0.0557 C   0  0  0  0  0
    3.5132   -4.3184    1.3020 C   0  0  0  0  0
    2.8262   -1.5389   -1.7374 O   0  0  0  0  0
    2.7886   -1.9827   -3.1009 C   0  0  0  0  0
    1.4444   -1.5686   -3.6912 C   0  0  0  0  0
    3.9363   -1.3168   -3.8506 C   0  0  0  0  0
    1.8584   -1.0508    0.7871 N   0  0  0  0  0
    1.6959   -0.5704    2.0549 C   0  0  0  0  0
    1.4797    0.6936    2.2052 N   0  0  0  0  0
    1.3105    1.2435    3.5591 C   0  0  0  0  0
    2.6164    1.3113    4.3451 C   0  0  0  0  0
    2.4777    2.1793    5.3823 F   0  0  0  0  0
    2.8742    0.0988    4.9113 F   0  0  0  0  0
    1.8193   -1.4982    3.0472 N   0  0  0  0  0
    0.2785   -3.4945    3.9260 H   0  0  0  0  0
    0.9256   -4.7604    2.8683 H   0  0  0  0  0
    0.0551   -3.3845    2.1763 H   0  0  0  0  0
    2.7480   -3.2373    3.6577 H   0  0  0  0  0
    4.3894   -3.7929   -1.9273 H   0  0  0  0  0
    4.7138   -5.4063   -0.1146 H   0  0  0  0  0
    3.6603   -5.0488    2.0935 H   0  0  0  0  0
    2.8586   -3.0708   -3.2035 H   0  0  0  0  0
    1.3634   -1.8744   -4.7392 H   0  0  0  0  0
    1.2981   -0.4853   -3.6276 H   0  0  0  0  0
    0.6258   -2.0330   -3.1307 H   0  0  0  0  0
    3.8366   -0.2257   -3.8309 H   0  0  0  0  0
    3.9703   -1.6441   -4.8942 H   0  0  0  0  0
    4.8956   -1.5533   -3.3784 H   0  0  0  0  0
    1.9038   -0.3497    0.0569 H   0  0  0  0  0
    0.5518    0.6825    4.1174 H   0  0  0  0  0
    0.9171    2.2603    3.4508 H   0  0  0  0  0
    3.4740    1.6150    3.7385 H   0  0  0  0  0
    1.8395   -1.1852    4.0096 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2 20  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 13  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  6 25  1  0  0  0
  7  8  2  0  0  0
  7 26  1  0  0  0
  8 27  1  0  0  0
  9 10  1  0  0  0
 10 12  1  0  0  0
 10 11  1  0  0  0
 10 28  1  0  0  0
 11 29  1  0  0  0
 11 30  1  0  0  0
 11 31  1  0  0  0
 12 32  1  0  0  0
 12 33  1  0  0  0
 12 34  1  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 14 20  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 36  1  0  0  0
 16 37  1  0  0  0
 17 19  1  0  0  0
 17 18  1  0  0  0
 17 38  1  0  0  0
 20 39  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL446459

>  <PubChem CID>
135458427

>  <Formula>
C14H19F2N3O

>  <Molecular Weight>
283.323000

>  <IUPAC Name>
N-(2,2-difluoroethyl)-4-methyl-8-propan-2-yloxy-3,4-dihydro-1H-quinazolin-2-imine

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1C2=C(C(=CC=C2)OC(C)C)NC(=NCC(F)F)N1

>  <Isomeric SMILES>
CC1C2=C(C(=CC=C2)OC(C)C)NC(=NCC(F)F)N1

>  <InChI Std. ID>
InChI=1S/C14H19F2N3O/c1-8(2)20-11-6-4-5-10-9(3)18-14(19-13(10)11)17-7-12(15)16/h4-6,8-9,12H,7H2,1-3H3,(H2,17,18,19)

>  <InChI Key>
ADOGGHZNEGBRNB-UHFFFAOYSA-N

