
 3-(2-oxo-2-phenylethyl)quinoxalin-2(1h)-one

 32 34  0  0  0  0  0  0  0  0999 V2000
    0.1254    3.3766    0.6771 C   0  0  0  0  0
    1.0156    4.0580   -0.1503 C   0  0  0  0  0
    2.2322    3.4698   -0.5012 C   0  0  0  0  0
    2.5680    2.1943   -0.0250 C   0  0  0  0  0
    1.6665    1.5146    0.8043 C   0  0  0  0  0
    0.4494    2.1072    1.1534 C   0  0  0  0  0
    3.8794    1.6041   -0.4343 C   0  0  0  0  0
    4.5721    2.1890   -1.2646 O   0  0  0  0  0
    4.2977    0.2848    0.1712 C   0  0  0  0  0
    5.7026   -0.1062   -0.1910 C   0  0  0  0  0
    5.9211   -1.1397   -0.9533 N   0  0  0  0  0
    7.2550   -1.4339   -1.2917 C   0  0  0  0  0
    7.5118   -2.5349   -2.1094 C   0  0  0  0  0
    8.8209   -2.8555   -2.4776 C   0  0  0  0  0
    9.8855   -2.0720   -2.0304 C   0  0  0  0  0
    9.6458   -0.9675   -1.2119 C   0  0  0  0  0
    8.3358   -0.6553   -0.8469 C   0  0  0  0  0
    8.0894    0.4370   -0.0101 N   0  0  0  0  0
    6.8186    0.7535    0.3968 C   0  0  0  0  0
    6.5672    1.6251    1.2161 O   0  0  0  0  0
   -0.8222    3.8351    0.9500 H   0  0  0  0  0
    0.7647    5.0477   -0.5239 H   0  0  0  0  0
    2.9187    4.0123   -1.1485 H   0  0  0  0  0
    1.8790    0.5222    1.1899 H   0  0  0  0  0
   -0.2485    1.5768    1.7970 H   0  0  0  0  0
    3.6156   -0.4943   -0.1867 H   0  0  0  0  0
    4.2379    0.3398    1.2633 H   0  0  0  0  0
    6.6834   -3.1432   -2.4632 H   0  0  0  0  0
    9.0074   -3.7155   -3.1159 H   0  0  0  0  0
   10.9027   -2.3233   -2.3210 H   0  0  0  0  0
   10.4816   -0.3651   -0.8687 H   0  0  0  0  0
    8.8450    0.9989    0.3545 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  3  4  2  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 24  1  0  0  0
  6 25  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 26  1  0  0  0
  9 27  1  0  0  0
 10 19  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 28  1  0  0  0
 14 15  2  0  0  0
 14 29  1  0  0  0
 15 16  1  0  0  0
 15 30  1  0  0  0
 16 17  2  0  0  0
 16 31  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 18 32  1  0  0  0
 19 20  2  0  0  0
M  END

>  <Chemical Name>
3-(2-oxo-2-phenylethyl)quinoxalin-2(1h)-one

>  <PubChem CID>
223034

>  <Formula>
C16H12N2O2

>  <Molecular Weight>
264.284000

>  <IUPAC Name>
3-phenacyl-1H-quinoxalin-2-one

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC=C(C=C1)C(=O)CC2=NC3=CC=CC=C3NC2=O

>  <Isomeric SMILES>
C1=CC=C(C=C1)C(=O)CC2=NC3=CC=CC=C3NC2=O

>  <InChI Std. ID>
InChI=1S/C16H12N2O2/c19-15(11-6-2-1-3-7-11)10-14-16(20)18-13-9-5-4-8-12(13)17-14/h1-9H,10H2,(H,18,20)

>  <InChI Key>
KOQHYOQMYFQWPR-UHFFFAOYSA-N

