
 N-(2-methoxyphenyl)-2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamide

 40 42  0  0  0  0  0  0  0  0999 V2000
    5.2884    3.2688   -2.9920 C   0  0  0  0  0
    5.0429    2.1994   -2.0832 O   0  0  0  0  0
    4.0182    2.4157   -1.1888 C   0  0  0  0  0
    3.6666    3.6758   -0.6958 C   0  0  0  0  0
    2.6153    3.7996    0.2134 C   0  0  0  0  0
    1.9240    2.6678    0.6392 C   0  0  0  0  0
    2.2802    1.4042    0.1615 C   0  0  0  0  0
    3.3273    1.2670   -0.7512 C   0  0  0  0  0
    3.7485    0.0273   -1.2816 N   0  0  0  0  0
    3.1463   -1.2067   -1.1424 C   0  0  0  0  0
    2.1158   -1.4458   -0.5190 O   0  0  0  0  0
    3.9489   -2.3114   -1.8060 C   0  0  0  0  0
    3.1235   -3.5780   -2.0313 C   0  0  0  0  0
    1.9943   -3.3327   -3.0501 C   0  0  0  0  0
    2.0415   -2.4581   -3.9151 O   0  0  0  0  0
    0.9749   -4.2525   -3.0415 N   0  0  0  0  0
    0.8557   -5.2287   -2.0444 C   0  0  0  0  0
   -0.1519   -6.1894   -2.1428 C   0  0  0  0  0
   -0.3089   -7.1318   -1.1254 C   0  0  0  0  0
    0.5224   -7.0959   -0.0058 C   0  0  0  0  0
    1.5209   -6.1251    0.0950 C   0  0  0  0  0
    1.7240   -5.2065   -0.9382 C   0  0  0  0  0
    2.6687   -4.1658   -0.7457 N   0  0  0  0  0
    5.9215    2.8819   -3.7964 H   0  0  0  0  0
    5.8331    4.0808   -2.5008 H   0  0  0  0  0
    4.3599    3.6335   -3.4453 H   0  0  0  0  0
    4.2005    4.5724   -0.9918 H   0  0  0  0  0
    2.3378    4.7790    0.5951 H   0  0  0  0  0
    1.1071    2.7628    1.3505 H   0  0  0  0  0
    1.7273    0.5455    0.5280 H   0  0  0  0  0
    4.5528    0.1061   -1.8970 H   0  0  0  0  0
    4.8029   -2.5316   -1.1537 H   0  0  0  0  0
    4.3418   -1.9467   -2.7627 H   0  0  0  0  0
    3.7888   -4.3150   -2.5036 H   0  0  0  0  0
    0.2788   -4.1718   -3.7689 H   0  0  0  0  0
   -0.8196   -6.2130   -2.9986 H   0  0  0  0  0
   -1.0885   -7.8858   -1.1978 H   0  0  0  0  0
    0.3874   -7.8167    0.7967 H   0  0  0  0  0
    2.1505   -6.0871    0.9805 H   0  0  0  0  0
    2.1735   -3.4258   -0.2230 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  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  5  6  2  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  7  8  2  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 12 33  1  0  0  0
 13 14  1  0  0  0
 13 23  1  0  0  0
 13 34  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
 16 35  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 36  1  0  0  0
 19 20  2  0  0  0
 19 37  1  0  0  0
 20 21  1  0  0  0
 20 38  1  0  0  0
 21 22  2  0  0  0
 21 39  1  0  0  0
 22 23  1  0  0  0
 23 40  1  0  0  0
M  END

>  <Chemical Name>
N-(2-methoxyphenyl)-2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamide

>  <PubChem CID>
2834475

>  <Formula>
C17H17N3O3

>  <Molecular Weight>
311.341000

>  <IUPAC Name>
N-(2-methoxyphenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC=CC=C1NC(=O)CC2C(=O)NC3=CC=CC=C3N2

>  <Isomeric SMILES>
COC1=CC=CC=C1NC(=O)CC2C(=O)NC3=CC=CC=C3N2

>  <InChI Std. ID>
InChI=1S/C17H17N3O3/c1-23-15-9-5-4-8-13(15)19-16(21)10-14-17(22)20-12-7-3-2-6-11(12)18-14/h2-9,14,18H,10H2,1H3,(H,19,21)(H,20,22)

>  <InChI Key>
ADBJRYXMRWOLKF-UHFFFAOYSA-N

