
 CHEMBL599039

 65 67  0  0  0  0  0  0  0  0999 V2000
    4.5450   -1.2918    2.2289 C   0  0  0  0  0
    4.1959    0.0085    1.5218 C   0  0  0  0  0
    4.6272   -0.0209    0.0543 C   0  0  0  0  0
    4.2454    1.2282   -0.6266 N   0  0  0  0  0
    3.8709    1.0824   -2.0469 C   0  0  0  0  0
    2.3785    0.7679   -2.1596 C   0  0  0  0  0
    1.9549    0.6069   -3.6107 C   0  0  0  0  0
    4.9355    2.4135   -0.3528 C   0  0  0  0  0
    6.2810    2.4652    0.0111 C   0  0  0  0  0
    6.9446    3.6944    0.1991 C   0  0  0  0  0
    6.2639    4.9102    0.1112 C   0  0  0  0  0
    4.9101    4.8601   -0.2403 C   0  0  0  0  0
    4.2670    3.6358   -0.4746 C   0  0  0  0  0
    6.9736    6.1234    0.3755 N   0  0  0  0  0
    8.3622    6.0927    0.5922 C   0  0  0  0  0
    9.0161    7.1262    0.7037 O   0  0  0  0  0
    9.0062    4.8883    0.6823 N   0  0  0  0  0
    8.3891    3.7701    0.4958 C   0  0  0  0  0
    9.2041    2.5358    0.5937 C   0  0  0  0  0
    9.4138    1.7310   -0.5278 C   0  0  0  0  0
   10.1349    0.5427   -0.3967 C   0  0  0  0  0
   10.6730    0.1591    0.8445 C   0  0  0  0  0
   10.4815    1.0028    1.9508 C   0  0  0  0  0
    9.7594    2.1918    1.8257 C   0  0  0  0  0
   11.3983   -1.1723    0.9567 C   0  0  0  0  0
   12.6383   -1.1298    1.8546 C   0  0  0  0  0
   10.4285   -2.2573    1.4319 C   0  0  0  0  0
    6.2884    7.4341    0.3523 C   0  0  0  0  0
    6.5271    8.2724    1.6173 C   0  0  0  0  0
    6.6155    8.2262   -0.9153 C   0  0  0  0  0
    4.1915   -1.2671    3.2644 H   0  0  0  0  0
    5.6281   -1.4498    2.2428 H   0  0  0  0  0
    4.0786   -2.1485    1.7319 H   0  0  0  0  0
    4.6716    0.8415    2.0511 H   0  0  0  0  0
    3.1128    0.1720    1.5825 H   0  0  0  0  0
    4.1140   -0.8647   -0.4251 H   0  0  0  0  0
    5.6969   -0.2339   -0.0485 H   0  0  0  0  0
    4.4645    0.2811   -2.5062 H   0  0  0  0  0
    4.0895    1.9883   -2.6283 H   0  0  0  0  0
    1.7930    1.5720   -1.6983 H   0  0  0  0  0
    2.1395   -0.1506   -1.6112 H   0  0  0  0  0
    2.1492    1.5215   -4.1800 H   0  0  0  0  0
    0.8839    0.3901   -3.6714 H   0  0  0  0  0
    2.4963   -0.2164   -4.0875 H   0  0  0  0  0
    6.8305    1.5386    0.1183 H   0  0  0  0  0
    4.2996    5.7459   -0.3676 H   0  0  0  0  0
    3.2115    3.6416   -0.7414 H   0  0  0  0  0
    9.0118    2.0151   -1.4966 H   0  0  0  0  0
   10.2713   -0.0895   -1.2718 H   0  0  0  0  0
   10.8832    0.7436    2.9272 H   0  0  0  0  0
    9.6237    2.8397    2.6881 H   0  0  0  0  0
   11.7520   -1.4518   -0.0449 H   0  0  0  0  0
   12.3808   -0.9733    2.9074 H   0  0  0  0  0
   13.3188   -0.3279    1.5484 H   0  0  0  0  0
   13.1862   -2.0767    1.7921 H   0  0  0  0  0
   10.0362   -2.0371    2.4313 H   0  0  0  0  0
   10.9250   -3.2327    1.4712 H   0  0  0  0  0
    9.5730   -2.3456    0.7526 H   0  0  0  0  0
    5.2091    7.2794    0.3566 H   0  0  0  0  0
    7.5337    8.6957    1.6661 H   0  0  0  0  0
    6.3657    7.6703    2.5178 H   0  0  0  0  0
    5.8282    9.1161    1.6473 H   0  0  0  0  0
    7.6714    8.5083   -0.9653 H   0  0  0  0  0
    6.0229    9.1462   -0.9586 H   0  0  0  0  0
    6.3869    7.6358   -1.8091 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  2 35  1  0  0  0
  3  4  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  6  7  1  0  0  0
  6 40  1  0  0  0
  6 41  1  0  0  0
  7 42  1  0  0  0
  7 43  1  0  0  0
  7 44  1  0  0  0
  8 13  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 45  1  0  0  0
 10 11  2  0  0  0
 10 18  1  0  0  0
 11 14  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 46  1  0  0  0
 13 47  1  0  0  0
 14 15  1  0  0  0
 14 28  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
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 18 19  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 48  1  0  0  0
 21 22  2  0  0  0
 21 49  1  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
 23 50  1  0  0  0
 24 51  1  0  0  0
 25 27  1  0  0  0
 25 26  1  0  0  0
 25 52  1  0  0  0
 26 53  1  0  0  0
 26 54  1  0  0  0
 26 55  1  0  0  0
 27 56  1  0  0  0
 27 57  1  0  0  0
 27 58  1  0  0  0
 28 30  1  0  0  0
 28 29  1  0  0  0
 28 59  1  0  0  0
 29 60  1  0  0  0
 29 61  1  0  0  0
 29 62  1  0  0  0
 30 63  1  0  0  0
 30 64  1  0  0  0
 30 65  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL599039

>  <PubChem CID>
45140974

>  <Formula>
C26H35N3O

>  <Molecular Weight>
405.586000

>  <IUPAC Name>
6-(dipropylamino)-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one

>  <XlogP>
6.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCN(CCC)C1=CC2=C(C=C1)N(C(=O)N=C2C3=CC=C(C=C3)C(C)C)C(C)C

>  <Isomeric SMILES>
CCCN(CCC)C1=CC2=C(C=C1)N(C(=O)N=C2C3=CC=C(C=C3)C(C)C)C(C)C

>  <InChI Std. ID>
InChI=1S/C26H35N3O/c1-7-15-28(16-8-2)22-13-14-24-23(17-22)25(27-26(30)29(24)19(5)6)21-11-9-20(10-12-21)18(3)4/h9-14,17-19H,7-8,15-16H2,1-6H3

>  <InChI Key>
AFBLVZYFLXGQGO-UHFFFAOYSA-N

