
 CHEMBL3228796

 43 44  0  0  0  0  0  0  0  0999 V2000
    2.6158   -3.3522    1.4750 C   0  0  0  0  0
    2.9738   -3.0494    0.0275 C   0  0  0  0  0
    2.9162   -1.5692   -0.2752 C   0  0  0  0  0
    1.7184   -1.0511   -0.7902 C   0  0  0  0  0
    1.6199    0.3036   -1.0775 C   0  0  0  0  0
    2.6466    1.1566   -0.8759 N   0  0  0  0  0
    3.8019    0.6755   -0.3613 C   0  0  0  0  0
    3.9862   -0.6822   -0.0488 C   0  0  0  0  0
    5.2758   -1.1117    0.4956 C   0  0  0  0  0
    6.2684   -0.2310    0.6531 C   0  0  0  0  0
    6.1048    1.1976    0.3050 C   0  0  0  0  0
    7.0722    1.9444    0.4355 O   0  0  0  0  0
    4.8610    1.5954   -0.1403 N   0  0  0  0  0
    4.6452    3.0074   -0.4625 C   0  0  0  0  0
    5.0311    3.3392   -1.9179 C   0  0  0  0  0
    4.8365    4.7588   -2.2913 N   0  0  0  0  0
    5.7629    5.6390   -1.5749 C   0  0  0  0  0
    5.0234    4.9203   -3.7357 C   0  0  0  0  0
    0.3565    0.8816   -1.6600 C   0  0  0  0  0
   -0.2765    1.9129   -0.7378 C   0  0  0  0  0
    2.6522   -4.4315    1.6551 H   0  0  0  0  0
    1.6050   -3.0039    1.7140 H   0  0  0  0  0
    3.3094   -2.8695    2.1714 H   0  0  0  0  0
    2.2782   -3.5848   -0.6316 H   0  0  0  0  0
    3.9611   -3.4554   -0.2167 H   0  0  0  0  0
    0.8688   -1.7055   -0.9673 H   0  0  0  0  0
    5.4317   -2.1465    0.7718 H   0  0  0  0  0
    7.2366   -0.5169    1.0457 H   0  0  0  0  0
    5.2592    3.5956    0.2289 H   0  0  0  0  0
    3.6068    3.2934   -0.2564 H   0  0  0  0  0
    4.4075    2.7165   -2.5719 H   0  0  0  0  0
    6.0700    3.0350   -2.1055 H   0  0  0  0  0
    5.5578    5.6401   -0.5002 H   0  0  0  0  0
    5.6379    6.6772   -1.9035 H   0  0  0  0  0
    6.8096    5.3548   -1.7316 H   0  0  0  0  0
    4.3024    4.3089   -4.2897 H   0  0  0  0  0
    6.0337    4.6405   -4.0564 H   0  0  0  0  0
    4.8425    5.9594   -4.0337 H   0  0  0  0  0
   -0.3706    0.0870   -1.8628 H   0  0  0  0  0
    0.5968    1.3444   -2.6241 H   0  0  0  0  0
   -0.5279    1.4731    0.2335 H   0  0  0  0  0
   -1.1965    2.3045   -1.1836 H   0  0  0  0  0
    0.3973    2.7582   -0.5599 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  2 25  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  5  6  2  0  0  0
  5 19  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 13  1  0  0  0
  8  9  1  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 13  1  0  0  0
 11 12  2  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 29  1  0  0  0
 14 30  1  0  0  0
 15 16  1  0  0  0
 15 31  1  0  0  0
 15 32  1  0  0  0
 16 18  1  0  0  0
 16 17  1  0  0  0
 17 33  1  0  0  0
 17 34  1  0  0  0
 17 35  1  0  0  0
 18 36  1  0  0  0
 18 37  1  0  0  0
 18 38  1  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 19 40  1  0  0  0
 20 41  1  0  0  0
 20 42  1  0  0  0
 20 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3228796

>  <PubChem CID>
23335402

>  <Formula>
C16H23N3O

>  <Molecular Weight>
273.380000

>  <IUPAC Name>
1-[2-(dimethylamino)ethyl]-5,7-diethyl-1,8-naphthyridin-2-one

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCC1=CC(=NC2=C1C=CC(=O)N2CCN(C)C)CC

>  <Isomeric SMILES>
CCC1=CC(=NC2=C1C=CC(=O)N2CCN(C)C)CC

>  <InChI Std. ID>
InChI=1S/C16H23N3O/c1-5-12-11-13(6-2)17-16-14(12)7-8-15(20)19(16)10-9-18(3)4/h7-8,11H,5-6,9-10H2,1-4H3

>  <InChI Key>
MWACFQYAZITUIV-UHFFFAOYSA-N

