
 3-benzoyl-6-methoxy-1-(4-methylbenzyl)quinolin-4(1H)-one

 50 53  0  0  0  0  0  0  0  0999 V2000
    8.5086    2.9613   -6.0772 C   0  0  0  0  0
    7.9292    2.1977   -4.9237 C   0  0  0  0  0
    7.7916    0.8073   -5.0014 C   0  0  0  0  0
    7.2941    0.0802   -3.9168 C   0  0  0  0  0
    6.9578    0.7258   -2.7194 C   0  0  0  0  0
    7.0693    2.1240   -2.6583 C   0  0  0  0  0
    7.5555    2.8516   -3.7465 C   0  0  0  0  0
    6.4334   -0.0258   -1.5110 C   0  0  0  0  0
    7.0066   -1.3828   -1.3475 N   0  0  0  0  0
    8.3756   -1.5645   -1.1472 C   0  0  0  0  0
    8.9647   -2.6342   -0.5960 C   0  0  0  0  0
    8.0615   -3.6384    0.0087 C   0  0  0  0  0
    8.4610   -4.4884    0.7970 O   0  0  0  0  0
    6.6337   -3.5914   -0.3771 C   0  0  0  0  0
    6.1386   -2.4620   -1.0609 C   0  0  0  0  0
    4.8016   -2.5187   -1.4775 C   0  0  0  0  0
    3.9924   -3.6239   -1.1737 C   0  0  0  0  0
    4.4901   -4.7018   -0.4428 C   0  0  0  0  0
    5.8223   -4.6909   -0.0540 C   0  0  0  0  0
    3.5988   -5.7097   -0.2047 O   0  0  0  0  0
    3.9615   -6.6431    0.8086 C   0  0  0  0  0
   10.4493   -2.7081   -0.5689 C   0  0  0  0  0
   11.1371   -1.6889   -0.5615 O   0  0  0  0  0
   11.1173   -4.0399   -0.5898 C   0  0  0  0  0
   10.5647   -5.1520   -1.2410 C   0  0  0  0  0
   11.2192   -6.3858   -1.2041 C   0  0  0  0  0
   12.4435   -6.5074   -0.5494 C   0  0  0  0  0
   13.0228   -5.3946    0.0588 C   0  0  0  0  0
   12.3648   -4.1627    0.0354 C   0  0  0  0  0
    9.5738    2.7302   -6.1799 H   0  0  0  0  0
    8.4070    4.0421   -5.9336 H   0  0  0  0  0
    7.9917    2.7002   -7.0060 H   0  0  0  0  0
    8.0812    0.2789   -5.9071 H   0  0  0  0  0
    7.1980   -0.9999   -4.0060 H   0  0  0  0  0
    6.7891    2.6598   -1.7535 H   0  0  0  0  0
    7.6479    3.9321   -3.6633 H   0  0  0  0  0
    5.3413   -0.0112   -1.5702 H   0  0  0  0  0
    6.6853    0.5397   -0.6030 H   0  0  0  0  0
    8.9805   -0.7386   -1.5243 H   0  0  0  0  0
    4.3574   -1.7331   -2.0821 H   0  0  0  0  0
    2.9596   -3.6424   -1.5164 H   0  0  0  0  0
    6.2650   -5.5266    0.4797 H   0  0  0  0  0
    3.1052   -7.3027    0.9775 H   0  0  0  0  0
    4.1834   -6.1348    1.7534 H   0  0  0  0  0
    4.8031   -7.2662    0.4888 H   0  0  0  0  0
    9.6199   -5.0861   -1.7720 H   0  0  0  0  0
   10.7697   -7.2534   -1.6808 H   0  0  0  0  0
   12.9478   -7.4700   -0.5151 H   0  0  0  0  0
   13.9839   -5.4862    0.5583 H   0  0  0  0  0
   12.8233   -3.3005    0.5151 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 33  1  0  0  0
  4  5  2  0  0  0
  4 34  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 35  1  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  8 38  1  0  0  0
  9 10  1  0  0  0
  9 15  1  0  0  0
 10 11  2  0  0  0
 10 39  1  0  0  0
 11 12  1  0  0  0
 11 22  1  0  0  0
 12 14  1  0  0  0
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 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 40  1  0  0  0
 17 18  1  0  0  0
 17 41  1  0  0  0
 18 19  2  0  0  0
 18 20  1  0  0  0
 19 42  1  0  0  0
 20 21  1  0  0  0
 21 43  1  0  0  0
 21 44  1  0  0  0
 21 45  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 46  1  0  0  0
 26 27  2  0  0  0
 26 47  1  0  0  0
 27 28  1  0  0  0
 27 48  1  0  0  0
 28 29  2  0  0  0
 28 49  1  0  0  0
 29 50  1  0  0  0
M  END

>  <Chemical Name>
3-benzoyl-6-methoxy-1-(4-methylbenzyl)quinolin-4(1H)-one

>  <PubChem CID>
2135469

>  <Formula>
C25H21NO3

>  <Molecular Weight>
383.447000

>  <IUPAC Name>
3-benzoyl-6-methoxy-1-[(4-methylphenyl)methyl]quinolin-4-one

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC=C(C=C1)CN2C=C(C(=O)C3=C2C=CC(=C3)OC)C(=O)C4=CC=CC=C4

>  <Isomeric SMILES>
CC1=CC=C(C=C1)CN2C=C(C(=O)C3=C2C=CC(=C3)OC)C(=O)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C25H21NO3/c1-17-8-10-18(11-9-17)15-26-16-22(24(27)19-6-4-3-5-7-19)25(28)21-14-20(29-2)12-13-23(21)26/h3-14,16H,15H2,1-2H3

>  <InChI Key>
ANBHPSNNABSMQF-UHFFFAOYSA-N

