
 CHEMBL84888

 41 44  0  0  0  0  0  0  0  0999 V2000
   -1.4561    0.7412    1.7960 C   0  0  0  0  0
   -0.6837    0.7294    0.5735 N   0  0  0  0  0
   -0.7795   -0.2294   -0.4001 C   0  0  0  0  0
    0.0937    0.1068   -1.4093 C   0  0  0  0  0
    0.7576    1.3045   -1.0266 C   0  0  0  0  0
    1.7420    2.1117   -1.6341 C   0  0  0  0  0
    2.2461    3.2490   -0.9766 C   0  0  0  0  0
    1.6754    3.6306    0.2547 C   0  0  0  0  0
    2.0655    4.9130    0.9529 C   0  0  0  0  0
    3.3589    5.5028    0.4195 C   0  0  0  0  0
    3.3538    5.4411   -1.0967 C   0  0  0  0  0
    3.2909    4.0508   -1.5483 N   0  0  0  0  0
    4.2141    3.6695   -2.5339 C   0  0  0  0  0
    4.7768    4.5017   -3.2440 O   0  0  0  0  0
    4.5168    2.3248   -2.5510 N   0  0  0  0  0
    5.4299    1.6569   -3.3925 C   0  0  0  0  0
    6.2334    2.2641   -4.3543 C   0  0  0  0  0
    7.1171    1.5931   -5.1411 N   0  0  0  0  0
    7.1970    0.2593   -4.9696 C   0  0  0  0  0
    6.4357   -0.4417   -4.0503 C   0  0  0  0  0
    5.5446    0.2730   -3.2500 C   0  0  0  0  0
    0.6727    2.8481    0.8623 C   0  0  0  0  0
    0.2490    1.6808    0.2151 C   0  0  0  0  0
   -0.7740    0.8655    2.6406 H   0  0  0  0  0
   -1.9945   -0.2042    1.8975 H   0  0  0  0  0
   -2.1645    1.5715    1.7446 H   0  0  0  0  0
   -1.4596   -1.0654   -0.3046 H   0  0  0  0  0
    0.2442   -0.4520   -2.3237 H   0  0  0  0  0
    2.0663    1.8434   -2.6346 H   0  0  0  0  0
    1.2515    5.6355    0.8116 H   0  0  0  0  0
    2.1715    4.7389    2.0302 H   0  0  0  0  0
    3.4703    6.5364    0.7649 H   0  0  0  0  0
    4.2137    4.9344    0.8078 H   0  0  0  0  0
    4.2600    5.9316   -1.4684 H   0  0  0  0  0
    2.4958    5.9773   -1.5215 H   0  0  0  0  0
    4.1171    1.7785   -1.8020 H   0  0  0  0  0
    6.2210    3.3326   -4.5370 H   0  0  0  0  0
    7.9104   -0.2490   -5.6112 H   0  0  0  0  0
    6.5319   -1.5165   -3.9585 H   0  0  0  0  0
    4.9384   -0.2672   -2.5272 H   0  0  0  0  0
    0.2384    3.1472    1.8119 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2 23  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  5 23  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 22  1  0  0  0
  9 10  1  0  0  0
  9 30  1  0  0  0
  9 31  1  0  0  0
 10 11  1  0  0  0
 10 32  1  0  0  0
 10 33  1  0  0  0
 11 12  1  0  0  0
 11 34  1  0  0  0
 11 35  1  0  0  0
 12 13  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 15 36  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 37  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 38  1  0  0  0
 20 21  2  0  0  0
 20 39  1  0  0  0
 21 40  1  0  0  0
 22 23  2  0  0  0
 22 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL84888

>  <PubChem CID>
10335310

>  <Formula>
C18H18N4O

>  <Molecular Weight>
306.369000

>  <IUPAC Name>
1-methyl-N-pyridin-3-yl-7,8-dihydro-6H-pyrrolo[2,3-g]quinoline-5-carboxamide

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN1C=CC2=CC3=C(CCCN3C(=O)NC4=CN=CC=C4)C=C21

>  <Isomeric SMILES>
CN1C=CC2=CC3=C(CCCN3C(=O)NC4=CN=CC=C4)C=C21

>  <InChI Std. ID>
InChI=1S/C18H18N4O/c1-21-9-6-14-11-17-13(10-16(14)21)4-3-8-22(17)18(23)20-15-5-2-7-19-12-15/h2,5-7,9-12H,3-4,8H2,1H3,(H,20,23)

>  <InChI Key>
ITVMJNOYTVOMMO-UHFFFAOYSA-N

