
 CHEMBL293866

 43 47  0  0  0  0  0  0  0  0999 V2000
    2.3050    0.4537    0.3725 C   0  0  0  0  0
    1.2741   -0.0114   -0.5520 N   0  0  0  0  0
    1.1990    0.8387   -1.7604 C   0  0  0  0  0
    2.3836    0.7016   -2.7449 C   0  0  0  0  0
    2.6192   -0.7111   -3.1068 N   0  0  0  0  0
    2.7024   -1.6221   -1.9500 C   0  0  0  0  0
    1.5143   -1.4062   -0.9794 C   0  0  0  0  0
    3.6347   -0.8718   -4.0685 C   0  0  0  0  0
    4.2432    0.2357   -4.5909 N   0  0  0  0  0
    5.2028    0.1587   -5.5244 C   0  0  0  0  0
    5.7664    1.3398   -5.9855 C   0  0  0  0  0
    6.7720    1.3521   -6.9568 C   0  0  0  0  0
    7.2346    0.1552   -7.4881 C   0  0  0  0  0
    6.6896   -1.0487   -7.0475 C   0  0  0  0  0
    5.6725   -1.0562   -6.0645 C   0  0  0  0  0
    5.0613   -2.2425   -5.5721 C   0  0  0  0  0
    4.0677   -2.1038   -4.6010 C   0  0  0  0  0
    3.5742   -3.3318   -4.2631 O   0  0  0  0  0
    4.2443   -4.2618   -4.9826 C   0  0  0  0  0
    4.0244   -5.6362   -4.9032 C   0  0  0  0  0
    4.8130   -6.4463   -5.7224 C   0  0  0  0  0
    5.7674   -5.8888   -6.5724 C   0  0  0  0  0
    5.9626   -4.4996   -6.6289 C   0  0  0  0  0
    5.1811   -3.6566   -5.8104 C   0  0  0  0  0
    2.3102   -0.1658    1.2764 H   0  0  0  0  0
    2.0887    1.4769    0.6989 H   0  0  0  0  0
    3.3131    0.4391   -0.0532 H   0  0  0  0  0
    1.0841    1.8904   -1.4705 H   0  0  0  0  0
    0.2748    0.5778   -2.2933 H   0  0  0  0  0
    2.1347    1.2872   -3.6393 H   0  0  0  0  0
    3.2844    1.1372   -2.2928 H   0  0  0  0  0
    2.6576   -2.6699   -2.2570 H   0  0  0  0  0
    3.6501   -1.4690   -1.4188 H   0  0  0  0  0
    0.5996   -1.7617   -1.4734 H   0  0  0  0  0
    1.6403   -2.0501   -0.0999 H   0  0  0  0  0
    5.4107    2.2836   -5.5776 H   0  0  0  0  0
    7.1876    2.2984   -7.2937 H   0  0  0  0  0
    8.0149    0.1584   -8.2447 H   0  0  0  0  0
    7.0631   -1.9700   -7.4778 H   0  0  0  0  0
    3.2754   -6.0479   -4.2375 H   0  0  0  0  0
    4.6782   -7.5253   -5.6970 H   0  0  0  0  0
    6.3699   -6.5391   -7.2036 H   0  0  0  0  0
    6.7127   -4.1018   -7.3030 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  6 33  1  0  0  0
  7 34  1  0  0  0
  7 35  1  0  0  0
  8  9  2  0  0  0
  8 17  1  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 36  1  0  0  0
 12 13  2  0  0  0
 12 37  1  0  0  0
 13 14  1  0  0  0
 13 38  1  0  0  0
 14 15  2  0  0  0
 14 39  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 24  1  0  0  0
 17 18  1  0  0  0
 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 40  1  0  0  0
 21 22  2  0  0  0
 21 41  1  0  0  0
 22 23  1  0  0  0
 22 42  1  0  0  0
 23 24  2  0  0  0
 23 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL293866

>  <PubChem CID>
10335971

>  <Formula>
C20H19N3O

>  <Molecular Weight>
317.392000

>  <IUPAC Name>
6-(4-methylpiperazin-1-yl)-[1]benzofuro[2,3-c]quinoline

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1CCN(CC1)C2=NC3=CC=CC=C3C4=C2OC5=CC=CC=C54

>  <Isomeric SMILES>
CN1CCN(CC1)C2=NC3=CC=CC=C3C4=C2OC5=CC=CC=C54

>  <InChI Std. ID>
InChI=1S/C20H19N3O/c1-22-10-12-23(13-11-22)20-19-18(14-6-2-4-8-16(14)21-20)15-7-3-5-9-17(15)24-19/h2-9H,10-13H2,1H3

>  <InChI Key>
AXXBKGLWQLKREC-UHFFFAOYSA-N

