69230030
  -OEChem-05052405592D

 45 49  0     0  0  0  0  0  0999 V2000
    2.8680   -0.7691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -2.8174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.7933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1821    0.2552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4044    3.2726    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.7933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -1.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -2.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2800    0.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3820    0.2482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2762    1.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1403    2.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -2.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1741   -0.7864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1364    3.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4082    2.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0363    1.7481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0283    3.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2685    3.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9404    2.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9363    3.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718   -3.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8415    0.5520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -0.1387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -3.4479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -2.6033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7074   -1.1026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8725    1.9606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0315    1.1281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0188    4.4373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2661    4.3960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4773    1.9554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4709    3.6212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921   -0.7277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619   -1.5737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079   -1.8039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2518   -3.8198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8742   -4.4374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4918   -3.8150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 27  1  0  0  0  0
  2 19  1  0  0  0  0
  2 28  1  0  0  0  0
  3  9  1  0  0  0  0
  3 15  2  0  0  0  0
  4 10  2  0  0  0  0
  4 17  1  0  0  0  0
  5 21  1  0  0  0  0
  5 24  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  2  0  0  0  0
  7  9  1  0  0  0  0
  7 13  2  0  0  0  0
  8 15  1  0  0  0  0
  8 17  2  0  0  0  0
  9 16  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 29  1  0  0  0  0
 12 14  1  0  0  0  0
 12 21  2  0  0  0  0
 13 18  1  0  0  0  0
 13 30  1  0  0  0  0
 14 20  1  0  0  0  0
 14 22  2  0  0  0  0
 15 32  1  0  0  0  0
 16 19  1  0  0  0  0
 16 31  1  0  0  0  0
 17 33  1  0  0  0  0
 18 19  2  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 34  1  0  0  0  0
 22 25  1  0  0  0  0
 22 35  1  0  0  0  0
 23 26  1  0  0  0  0
 23 36  1  0  0  0  0
 24 37  1  0  0  0  0
 25 26  2  0  0  0  0
 25 38  1  0  0  0  0
 26 39  1  0  0  0  0
 27 40  1  0  0  0  0
 27 41  1  0  0  0  0
 27 42  1  0  0  0  0
 28 43  1  0  0  0  0
 28 44  1  0  0  0  0
 28 45  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69230030

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
532

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8eLECAAAAAACx/gAAHgAAAAAADAzBngY+xvIIFACgAzRnRACCiCAxIiAI2CA+7JgNJuLE8duENCpmwBnK6Aew0PMOoEABAgASQABAgAIEACSAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(4-isoquinolyl)-8,9-dimethoxy-benzo[c][2,7]naphthyridine

> <PUBCHEM_IUPAC_CAS_NAME>
2-(4-isoquinolinyl)-8,9-dimethoxybenzo[c][2,7]naphthyridine

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-isoquinolin-4-yl-8,9-dimethoxybenzo[c][2,7]naphthyridine

> <PUBCHEM_IUPAC_NAME>
2-isoquinolin-4-yl-8,9-dimethoxybenzo[c][2,7]naphthyridine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-isoquinolin-4-yl-8,9-dimethoxy-benzo[c][2,7]naphthyridine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(4-isoquinolyl)-8,9-dimethoxy-benzo[c][2,7]naphthyridine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H17N3O2/c1-27-22-8-18-17-7-20(19-13-24-10-14-5-3-4-6-16(14)19)25-11-15(17)12-26-21(18)9-23(22)28-2/h3-13H,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
OZDSJYLSHXPQFI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.2

> <PUBCHEM_EXACT_MASS>
367.132076794

> <PUBCHEM_MOLECULAR_FORMULA>
C23H17N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
367.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=C2C(=C1)C3=CC(=NC=C3C=N2)C4=CN=CC5=CC=CC=C54)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C=C2C(=C1)C3=CC(=NC=C3C=N2)C4=CN=CC5=CC=CC=C54)OC

> <PUBCHEM_CACTVS_TPSA>
57.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
367.132076794

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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  11  8
12  14  8
12  21  8
13  18  8
14  20  8
14  22  8
16  19  8
18  19  8
20  23  8
20  24  8
22  25  8
23  26  8
25  26  8
3  15  8
3  9  8
4  10  8
4  17  8
5  21  8
5  24  8
6  11  8
6  7  8
6  8  8
7  13  8
7  9  8
8  15  8
8  17  8
9  16  8

$$$$