
 CHEMBL274041

 63 66  0  0  0  0  0  0  0  0999 V2000
   -4.8893   -2.8875    6.6259 C   0  0  0  0  0
   -3.9601   -4.0534    6.9507 C   0  0  0  0  0
   -4.2592   -5.2574    6.0560 C   0  0  0  0  0
   -4.1937   -4.9568    4.6163 N   0  0  0  0  0
   -5.1377   -3.8674    4.3013 C   0  0  0  0  0
   -4.9200   -2.5941    5.1279 C   0  0  0  0  0
   -2.8377   -4.6401    4.1279 C   0  0  0  0  0
   -1.8401   -5.7974    4.2822 C   0  0  0  0  0
   -0.4602   -5.4316    3.7289 C   0  0  0  0  0
    0.0894   -4.2772    4.3644 O   0  0  0  0  0
    0.6820   -4.4070    5.5896 C   0  0  0  0  0
    1.1092   -3.2065    6.1595 C   0  0  0  0  0
    1.7174   -3.1860    7.4181 C   0  0  0  0  0
    1.9022   -4.3754    8.1322 C   0  0  0  0  0
    1.4890   -5.5795    7.5523 C   0  0  0  0  0
    0.8838   -5.5962    6.2897 C   0  0  0  0  0
    2.5508   -4.3601    9.4929 C   0  0  0  0  0
    4.0589   -4.6021    9.4163 C   0  0  0  0  0
    4.7031   -4.4618   10.7977 C   0  0  0  0  0
    6.1415   -4.6795   10.6790 N   0  0  0  0  0
    7.0392   -4.2910   11.6924 C   0  0  0  0  0
    6.6933   -3.3407   12.6564 C   0  0  0  0  0
    7.6389   -2.9303   13.5773 C   0  0  0  0  0
    8.9048   -3.3779   13.6075 N   0  0  0  0  0
    9.2757   -4.2572   12.6661 C   0  0  0  0  0
   10.5942   -4.6883   12.6834 C   0  0  0  0  0
   11.0912   -5.5890   11.7398 C   0  0  0  0  0
   10.2516   -6.0676   10.7472 C   0  0  0  0  0
    8.9217   -5.6473   10.7077 C   0  0  0  0  0
    8.3943   -4.7436   11.6690 C   0  0  0  0  0
   -5.9029   -3.1325    6.9643 H   0  0  0  0  0
   -4.5761   -1.9945    7.1765 H   0  0  0  0  0
   -4.0843   -4.3371    8.0014 H   0  0  0  0  0
   -2.9150   -3.7413    6.8344 H   0  0  0  0  0
   -3.6026   -6.0932    6.3186 H   0  0  0  0  0
   -5.2699   -5.6234    6.2842 H   0  0  0  0  0
   -5.0959   -3.6263    3.2324 H   0  0  0  0  0
   -6.1583   -4.2329    4.4759 H   0  0  0  0  0
   -3.9839   -2.1076    4.8307 H   0  0  0  0  0
   -5.7221   -1.8784    4.9144 H   0  0  0  0  0
   -2.4370   -3.7425    4.6116 H   0  0  0  0  0
   -2.9046   -4.4113    3.0561 H   0  0  0  0  0
   -2.2145   -6.6842    3.7584 H   0  0  0  0  0
   -1.7360   -6.0594    5.3379 H   0  0  0  0  0
   -0.5615   -5.1801    2.6668 H   0  0  0  0  0
    0.2324   -6.2794    3.7658 H   0  0  0  0  0
    0.9649   -2.2736    5.6198 H   0  0  0  0  0
    2.0401   -2.2349    7.8346 H   0  0  0  0  0
    1.6308   -6.5194    8.0813 H   0  0  0  0  0
    0.5788   -6.5560    5.8893 H   0  0  0  0  0
    2.0793   -5.1210   10.1279 H   0  0  0  0  0
    2.3457   -3.3971    9.9779 H   0  0  0  0  0
    4.5196   -3.8817    8.7280 H   0  0  0  0  0
    4.2633   -5.5983    9.0038 H   0  0  0  0  0
    4.2779   -5.1943   11.4924 H   0  0  0  0  0
    4.4718   -3.4581   11.1672 H   0  0  0  0  0
    6.3516   -5.6114   10.3319 H   0  0  0  0  0
    5.7087   -2.8986   12.7165 H   0  0  0  0  0
    7.3917   -2.1953   14.3383 H   0  0  0  0  0
   11.2600   -4.3048   13.4532 H   0  0  0  0  0
   12.1304   -5.9017   11.7827 H   0  0  0  0  0
   10.6281   -6.7613    9.9998 H   0  0  0  0  0
    8.2993   -6.0270    9.9030 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  6 39  1  0  0  0
  6 40  1  0  0  0
  7  8  1  0  0  0
  7 41  1  0  0  0
  7 42  1  0  0  0
  8  9  1  0  0  0
  8 43  1  0  0  0
  8 44  1  0  0  0
  9 10  1  0  0  0
  9 45  1  0  0  0
  9 46  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 47  1  0  0  0
 13 14  2  0  0  0
 13 48  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 49  1  0  0  0
 16 50  1  0  0  0
 17 18  1  0  0  0
 17 51  1  0  0  0
 17 52  1  0  0  0
 18 19  1  0  0  0
 18 53  1  0  0  0
 18 54  1  0  0  0
 19 20  1  0  0  0
 19 55  1  0  0  0
 19 56  1  0  0  0
 20 21  1  0  0  0
 20 57  1  0  0  0
 21 22  2  0  0  0
 21 30  1  0  0  0
 22 23  1  0  0  0
 22 58  1  0  0  0
 23 24  2  0  0  0
 23 59  1  0  0  0
 24 25  1  0  0  0
 25 26  2  0  0  0
 25 30  1  0  0  0
 26 27  1  0  0  0
 26 60  1  0  0  0
 27 28  2  0  0  0
 27 61  1  0  0  0
 28 29  1  0  0  0
 28 62  1  0  0  0
 29 30  2  0  0  0
 29 63  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL274041

>  <PubChem CID>
10949464

>  <Formula>
C26H33N3O

>  <Molecular Weight>
403.570000

>  <IUPAC Name>
N-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]quinolin-4-amine

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCN(CC1)CCCOC2=CC=C(C=C2)CCCNC3=CC=NC4=CC=CC=C43

>  <Isomeric SMILES>
C1CCN(CC1)CCCOC2=CC=C(C=C2)CCCNC3=CC=NC4=CC=CC=C43

>  <InChI Std. ID>
InChI=1S/C26H33N3O/c1-4-18-29(19-5-1)20-7-21-30-23-13-11-22(12-14-23)8-6-16-27-26-15-17-28-25-10-3-2-9-24(25)26/h2-3,9-15,17H,1,4-8,16,18-21H2,(H,27,28)

>  <InChI Key>
CZZFMTVEVADYHA-UHFFFAOYSA-N

