68137422
  -OEChem-05062419482D

 43 45  0     0  0  0  0  0  0999 V2000
    2.8660   -0.7622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0553    2.2923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3118    3.2722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580   -2.7968    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580   -0.7275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3465    0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2067    0.7824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4747    0.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1951    1.7823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.2830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3233    2.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4632    1.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9270    1.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4400    3.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998   -0.9293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.3822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7472    0.4786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9414    0.4462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998   -2.5951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9227    2.0661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.7252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.5722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.7991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -3.7622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.3822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -3.7622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6233    1.2619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4675    1.4986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2308    2.3428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7438    4.3027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8996    4.0659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1363    3.2217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 21  1  0  0  0  0
  2 15  1  0  0  0  0
  2 22  1  0  0  0  0
  3 17  1  0  0  0  0
  3 23  1  0  0  0  0
  4 19  1  0  0  0  0
  4 24  1  0  0  0  0
  5  9  2  0  0  0  0
  5 18  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8 14  2  0  0  0  0
  8 16  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 25  1  0  0  0  0
 11 18  2  0  0  0  0
 11 26  1  0  0  0  0
 12 15  2  0  0  0  0
 12 27  1  0  0  0  0
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 14 28  1  0  0  0  0
 16 20  2  0  0  0  0
 16 29  1  0  0  0  0
 17 19  2  0  0  0  0
 18 30  1  0  0  0  0
 19 20  1  0  0  0  0
 20 31  1  0  0  0  0
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68137422

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
394

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6OAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx9AAAHgAAAAAADAzBngY+xvIIFACgAzRnRACCiCAxIiAI2CA+7JgNJuLEsZuEMCpmwBnK6Aew0PMOoEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-quinoline

> <PUBCHEM_IUPAC_CAS_NAME>
4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinoline

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinoline

> <PUBCHEM_IUPAC_NAME>
4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinoline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-quinoline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-quinoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H19NO4/c1-21-16-6-5-12(9-17(16)22-2)13-7-8-20-15-11-19(24-4)18(23-3)10-14(13)15/h5-11H,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
WLRCNOTUDBBIEE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.7

> <PUBCHEM_EXACT_MASS>
325.13140809

> <PUBCHEM_MOLECULAR_FORMULA>
C19H19NO4

> <PUBCHEM_MOLECULAR_WEIGHT>
325.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=C(C=C1)C2=C3C=C(C(=CC3=NC=C2)OC)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C=C(C=C1)C2=C3C=C(C(=CC3=NC=C2)OC)OC)OC

> <PUBCHEM_CACTVS_TPSA>
49.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
325.13140809

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  13  8
11  18  8
12  15  8
13  15  8
14  17  8
16  20  8
17  19  8
19  20  8
5  18  8
5  9  8
6  10  8
6  7  8
6  9  8
7  11  8
8  14  8
8  16  8
9  12  8

$$$$