54694331
  -OEChem-05072409322D

 42 44  0     0  0  0  0  0  0999 V2000
    6.3981    1.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -1.4642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381    0.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -1.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    2.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3762   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6162   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5741    2.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7272    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9541    1.5231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    1.2146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -2.0946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1963    0.3929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0382    1.5231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2651    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4182    2.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8611    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079   -0.4294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619   -0.6596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921   -1.5056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 39  1  0  0  0  0
  2 12  2  0  0  0  0
  3 20  1  0  0  0  0
  3 23  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 10  2  0  0  0  0
  6 12  1  0  0  0  0
  7 14  1  0  0  0  0
  7 16  1  0  0  0  0
  8 15  2  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 18  1  0  0  0  0
 11 19  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 22  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 21  2  0  0  0  0
 18 33  1  0  0  0  0
 19 20  2  0  0  0  0
 19 34  1  0  0  0  0
 20 21  1  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
54694331

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
489

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6MAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHgAQCAAADAyBmAIyxoLABgCIAiVSUACCCAAhIgAIiAEGbMgMJjLEtZuEcChm1BnI+QeY+O+O4AACAgASAADAAAQEACQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-hydroxy-7-methoxy-3-(2,4,6-trimethylphenyl)-1H-quinolin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
4-hydroxy-7-methoxy-3-(2,4,6-trimethylphenyl)-1H-quinolin-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-hydroxy-7-methoxy-3-(2,4,6-trimethylphenyl)-1<I>H</I>-quinolin-2-one

> <PUBCHEM_IUPAC_NAME>
4-hydroxy-7-methoxy-3-(2,4,6-trimethylphenyl)-1H-quinolin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
7-methoxy-4-oxidanyl-3-(2,4,6-trimethylphenyl)-1H-quinolin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-hydroxy-3-mesityl-7-methoxy-carbostyril

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H19NO3/c1-10-7-11(2)16(12(3)8-10)17-18(21)14-6-5-13(23-4)9-15(14)20-19(17)22/h5-9H,1-4H3,(H2,20,21,22)

> <PUBCHEM_IUPAC_INCHIKEY>
QPOLJLHVQGFXLM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
309.13649347

> <PUBCHEM_MOLECULAR_FORMULA>
C19H19NO3

> <PUBCHEM_MOLECULAR_WEIGHT>
309.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=C(C(=C1)C)C2=C(C3=C(C=C(C=C3)OC)NC2=O)O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=C(C(=C1)C)C2=C(C3=C(C=C(C=C3)OC)NC2=O)O)C

> <PUBCHEM_CACTVS_TPSA>
58.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
309.13649347

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
15

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  19  8
13  14  8
13  15  8
18  21  8
19  20  8
20  21  8
4  11  8
4  12  8
5  7  8
5  8  8
6  10  8
6  12  8
7  14  8
8  15  8
9  10  8
9  11  8
9  18  8

$$$$