
 CHEMBL1762694

 46 49  0  0  0  0  0  0  0  0999 V2000
   -0.9296    0.2467   -1.5622 C   0  0  0  0  0
   -1.1524    0.6169   -0.1084 C   0  0  0  0  0
   -0.2799    1.8582    0.0672 C   0  0  0  0  0
    0.8009    1.7175   -0.9294 N   0  0  0  0  0
    0.5645    0.4995   -1.7214 C   0  0  0  0  0
    2.0755    1.8115   -0.3305 C   0  0  0  0  0
    2.7176    0.6774   -0.0015 N   0  0  0  0  0
    3.9093    0.7748    0.5918 C   0  0  0  0  0
    4.5104    1.9279    0.8867 N   0  0  0  0  0
    3.8773    3.0587    0.5658 C   0  0  0  0  0
    4.4882    4.2712    0.8656 C   0  0  0  0  0
    3.9004    5.4967    0.5398 C   0  0  0  0  0
    2.6726    5.5203   -0.1064 C   0  0  0  0  0
    2.0397    4.3175   -0.4104 C   0  0  0  0  0
    2.6318    3.0749   -0.0673 C   0  0  0  0  0
    4.6239   -0.3667    0.9128 N   0  0  0  0  0
    4.3768   -1.5512    0.1050 C   0  0  0  0  0
    4.7866   -1.3991   -1.3684 C   0  0  0  0  0
    6.2439   -1.0566   -1.5816 C   0  0  0  0  0
    7.2536   -1.9633   -1.2294 C   0  0  0  0  0
    8.5965   -1.6435   -1.4416 C   0  0  0  0  0
    8.9359   -0.4186   -2.0118 C   0  0  0  0  0
    7.9444    0.4923   -2.3668 C   0  0  0  0  0
    6.6018    0.1750   -2.1500 C   0  0  0  0  0
   10.5904   -0.0311   -2.2822 Cl  0  0  0  0  0
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    1.1084   -0.3798   -1.3565 H   0  0  0  0  0
    5.4544    4.2610    1.3656 H   0  0  0  0  0
    4.4094    6.4246    0.7869 H   0  0  0  0  0
    2.2108    6.4661   -0.3765 H   0  0  0  0  0
    1.0846    4.3365   -0.9307 H   0  0  0  0  0
    5.5954   -0.0866    1.0023 H   0  0  0  0  0
    3.3207   -1.8436    0.1657 H   0  0  0  0  0
    4.9378   -2.3787    0.5552 H   0  0  0  0  0
    4.1562   -0.6486   -1.8606 H   0  0  0  0  0
    4.5799   -2.3409   -1.8929 H   0  0  0  0  0
    7.0029   -2.9266   -0.7910 H   0  0  0  0  0
    9.3703   -2.3538   -1.1634 H   0  0  0  0  0
    8.2064    1.4482   -2.8118 H   0  0  0  0  0
    5.8358    0.8976   -2.4268 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  6  7  2  0  0  0
  6 15  1  0  0  0
  7  8  1  0  0  0
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  8 16  1  0  0  0
  9 10  1  0  0  0
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 11 12  1  0  0  0
 11 34  1  0  0  0
 12 13  2  0  0  0
 12 35  1  0  0  0
 13 14  1  0  0  0
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 18 19  1  0  0  0
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 19 24  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1762694

>  <PubChem CID>
54580023

>  <Formula>
C20H21ClN4

>  <Molecular Weight>
352.866000

>  <IUPAC Name>
N-[2-(4-chlorophenyl)ethyl]-4-pyrrolidin-1-ylquinazolin-2-amine

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCN(C1)C2=NC(=NC3=CC=CC=C32)NCCC4=CC=C(C=C4)Cl

>  <Isomeric SMILES>
C1CCN(C1)C2=NC(=NC3=CC=CC=C32)NCCC4=CC=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C20H21ClN4/c21-16-9-7-15(8-10-16)11-12-22-20-23-18-6-2-1-5-17(18)19(24-20)25-13-3-4-14-25/h1-2,5-10H,3-4,11-14H2,(H,22,23,24)

>  <InChI Key>
ZTBYGHFCCRICRF-UHFFFAOYSA-N

