
 CHEMBL435439

 38 40  0  0  0  0  0  0  0  0999 V2000
    1.5000    0.2886    0.0622 C   0  0  0  0  0
    0.9688    1.6393    0.1872 N   0  0  0  0  0
    2.0338    2.6361    0.3456 C   0  0  0  0  0
    1.4440    4.0402    0.4975 C   0  0  0  0  0
    2.6123    4.8583    1.0512 C   0  0  0  0  0
    3.4062    3.8915    1.7992 N   0  0  0  0  0
    2.9077    2.5338    1.6158 C   0  0  0  0  0
    3.9062    4.2277    3.0368 C   0  0  0  0  0
    4.3000    3.2384    3.8500 N   0  0  0  0  0
    4.7509    3.5524    5.0637 C   0  0  0  0  0
    4.8458    4.8698    5.5175 C   0  0  0  0  0
    5.2958    5.1263    6.8382 C   0  0  0  0  0
    5.6600    4.0763    7.6744 C   0  0  0  0  0
    5.5850    2.7690    7.2159 C   0  0  0  0  0
    5.1303    2.5225    5.9172 C   0  0  0  0  0
    6.1991    4.3966    9.2746 Cl  0  0  0  0  0
    4.4588    5.8463    4.5886 C   0  0  0  0  0
    3.9888    5.5204    3.3730 N   0  0  0  0  0
    4.5304    7.2128    4.9518 N   0  0  0  0  0
    4.1058    8.1358    3.9101 C   0  0  0  0  0
    0.6747   -0.4097   -0.1084 H   0  0  0  0  0
    2.0203   -0.0299    0.9710 H   0  0  0  0  0
    2.1820    0.2071   -0.7899 H   0  0  0  0  0
    0.3408    1.6776    0.9908 H   0  0  0  0  0
    2.6794    2.6286   -0.5435 H   0  0  0  0  0
    0.6219    4.0428    1.2255 H   0  0  0  0  0
    1.0629    4.4482   -0.4439 H   0  0  0  0  0
    3.2175    5.2649    0.2333 H   0  0  0  0  0
    2.2270    5.6939    1.6461 H   0  0  0  0  0
    3.7230    1.8148    1.4796 H   0  0  0  0  0
    2.2907    2.2200    2.4685 H   0  0  0  0  0
    5.3404    6.1467    7.2106 H   0  0  0  0  0
    5.8668    1.9373    7.8560 H   0  0  0  0  0
    5.0630    1.4959    5.5627 H   0  0  0  0  0
    5.4771    7.4152    5.2618 H   0  0  0  0  0
    4.7416    8.0616    3.0210 H   0  0  0  0  0
    4.1868    9.1594    4.2898 H   0  0  0  0  0
    3.0586    7.9742    3.6318 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  3  1  0  0  0
  2 24  1  0  0  0
  3  7  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  4 27  1  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  5 29  1  0  0  0
  6  7  1  0  0  0
  6  8  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8 18  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 17  1  0  0  0
 12 13  2  0  0  0
 12 32  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 33  1  0  0  0
 15 34  1  0  0  0
 17 18  2  0  0  0
 17 19  1  0  0  0
 19 20  1  0  0  0
 19 35  1  0  0  0
 20 36  1  0  0  0
 20 37  1  0  0  0
 20 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL435439

>  <PubChem CID>
25178754

>  <Formula>
C14H18ClN5

>  <Molecular Weight>
291.783000

>  <IUPAC Name>
6-chloro-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]quinazolin-4-amine

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CNC1CCN(C1)C2=NC3=C(C=C(C=C3)Cl)C(=N2)NC

>  <Isomeric SMILES>
CNC1CCN(C1)C2=NC3=C(C=C(C=C3)Cl)C(=N2)NC

>  <InChI Std. ID>
InChI=1S/C14H18ClN5/c1-16-10-5-6-20(8-10)14-18-12-4-3-9(15)7-11(12)13(17-2)19-14/h3-4,7,10,16H,5-6,8H2,1-2H3,(H,17,18,19)

>  <InChI Key>
AHBHRWUKLFIOIQ-UHFFFAOYSA-N

