57402720
  -OEChem-04192416192D

 36 38  0     0  0  0  0  0  0999 V2000
    2.8660   -0.5172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580   -2.5519    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.0380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1951    2.0273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580   -0.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3465    0.5174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4747    1.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2067    1.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4632    2.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3233    2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3118    3.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.1372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998   -0.6843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9414    0.6912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7472    0.7236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9227    2.3110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9318    3.5244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3046    4.1372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6918    3.5100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.4803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.3272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.5541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -3.5172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.1372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -3.5172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 20  1  0  0  0  0
  2 13  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4 14  1  0  0  0  0
  5 16  1  0  0  0  0
  5 18  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  2  0  0  0  0
  7  9  1  0  0  0  0
  7 14  2  0  0  0  0
  8 12  2  0  0  0  0
  9 15  1  0  0  0  0
  9 16  2  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 13  2  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 17  2  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
 17 27  1  0  0  0  0
 18 19  1  0  0  0  0
 19 28  1  0  0  0  0
 19 29  1  0  0  0  0
 19 30  1  0  0  0  0
 20 31  1  0  0  0  0
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
57402720

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
342

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8WIAAAAAAAACx/AAAHgAIAAAADAzBngY+xvIIFACiAzRnRACSjCAxoiAY2CA+7JgNJuLEsZuEsCpmyBnK6Aew0PEOoEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6,7-dimethoxy-4-(6-methyl-3-pyridyl)cinnoline

> <PUBCHEM_IUPAC_CAS_NAME>
6,7-dimethoxy-4-(6-methyl-3-pyridinyl)cinnoline

> <PUBCHEM_IUPAC_NAME_MARKUP>
6,7-dimethoxy-4-(6-methylpyridin-3-yl)cinnoline

> <PUBCHEM_IUPAC_NAME>
6,7-dimethoxy-4-(6-methylpyridin-3-yl)cinnoline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6,7-dimethoxy-4-(6-methylpyridin-3-yl)cinnoline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6,7-dimethoxy-4-(6-methyl-3-pyridyl)cinnoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H15N3O2/c1-10-4-5-11(8-17-10)13-9-18-19-14-7-16(21-3)15(20-2)6-12(13)14/h4-9H,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
UONJPSDTLULUQK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.1

> <PUBCHEM_EXACT_MASS>
281.116426730

> <PUBCHEM_MOLECULAR_FORMULA>
C16H15N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
281.31

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=NC=C(C=C1)C2=CN=NC3=CC(=C(C=C32)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=NC=C(C=C1)C2=CN=NC3=CC(=C(C=C32)OC)OC

> <PUBCHEM_CACTVS_TPSA>
57.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
281.116426730

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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
11  13  8
12  13  8
15  17  8
17  18  8
3  4  8
3  8  8
4  14  8
5  16  8
5  18  8
6  10  8
6  7  8
6  8  8
7  14  8
8  12  8
9  15  8
9  16  8

$$$$