
 CHEMBL3228817

 32 33  0  0  0  0  0  0  0  0999 V2000
    2.8265   -0.6143   -2.5756 C   0  0  0  0  0
    3.2432   -0.2695   -1.2118 N   0  0  0  0  0
    4.1367   -1.3134   -0.6995 C   0  0  0  0  0
    3.9044    1.0533   -1.2181 C   0  0  0  0  0
    4.2358    1.6083    0.1830 C   0  0  0  0  0
    4.8279    2.9462    0.1119 N   0  0  0  0  0
    6.2059    3.0107   -0.0767 C   0  0  0  0  0
    6.9395    2.0293   -0.1794 O   0  0  0  0  0
    6.8203    4.3549   -0.1641 C   0  0  0  0  0
    6.0879    5.4696   -0.1121 C   0  0  0  0  0
    4.6387    5.3828    0.0330 C   0  0  0  0  0
    3.8776    6.5598    0.0606 C   0  0  0  0  0
    2.4925    6.4974    0.1915 C   0  0  0  0  0
    1.8647    5.2603    0.2902 C   0  0  0  0  0
    2.6187    4.0820    0.2608 C   0  0  0  0  0
    4.0154    4.1249    0.1386 C   0  0  0  0  0
    2.1196    0.1282   -2.9627 H   0  0  0  0  0
    2.3038   -1.5775   -2.5874 H   0  0  0  0  0
    3.6765   -0.6749   -3.2656 H   0  0  0  0  0
    3.6565   -2.2966   -0.7638 H   0  0  0  0  0
    4.3581   -1.1577    0.3607 H   0  0  0  0  0
    5.0820   -1.3580   -1.2524 H   0  0  0  0  0
    3.2335    1.7731   -1.7059 H   0  0  0  0  0
    4.8166    1.0235   -1.8293 H   0  0  0  0  0
    4.9610    0.9501    0.6759 H   0  0  0  0  0
    3.3589    1.6047    0.8377 H   0  0  0  0  0
    7.8969    4.3781   -0.2787 H   0  0  0  0  0
    6.5560    6.4448   -0.1823 H   0  0  0  0  0
    4.3567    7.5323   -0.0210 H   0  0  0  0  0
    1.9046    7.4115    0.2136 H   0  0  0  0  0
    0.7828    5.2072    0.3895 H   0  0  0  0  0
    2.0748    3.1460    0.3305 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  3 22  1  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  4 24  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  6 16  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  2  0  0  0
  9 27  1  0  0  0
 10 11  1  0  0  0
 10 28  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 29  1  0  0  0
 13 14  2  0  0  0
 13 30  1  0  0  0
 14 15  1  0  0  0
 14 31  1  0  0  0
 15 16  2  0  0  0
 15 32  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3228817

>  <PubChem CID>
45117450

>  <Formula>
C13H16N2O

>  <Molecular Weight>
216.284000

>  <IUPAC Name>
1-[2-(dimethylamino)ethyl]quinolin-2-one

>  <XlogP>
1.500

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN(C)CCN1C(=O)C=CC2=CC=CC=C21

>  <Isomeric SMILES>
CN(C)CCN1C(=O)C=CC2=CC=CC=C21

>  <InChI Std. ID>
InChI=1S/C13H16N2O/c1-14(2)9-10-15-12-6-4-3-5-11(12)7-8-13(15)16/h3-8H,9-10H2,1-2H3

>  <InChI Key>
GRNJXTHUPZCPBT-UHFFFAOYSA-N

