82143
  -OEChem-05132405572D

 30 33  0     0  0  0  0  0  0999 V2000
    5.6782   -0.6627    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5124    1.6137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0091    0.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3181    1.0315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0150    0.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6564   -0.4548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9654    0.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7086    1.0287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2962    1.2394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3692   -1.6137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3334   -0.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3413   -1.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9808    0.7285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6994    1.2605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3618   -1.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3191   -0.4881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6837   -0.0401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4878    1.8291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7795   -1.4222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1776   -2.2034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9588   -1.8053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5313   -1.2840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1429   -1.8269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1655    1.3204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5152    1.8525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7749   -1.4931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9056   -0.9501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2897    0.0911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3942    0.6287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  9  2  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  2  0  0  0  0
  7  9  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 16  2  0  0  0  0
 11 23  1  0  0  0  0
 12 15  1  0  0  0  0
 12 24  1  0  0  0  0
 13 17  1  0  0  0  0
 13 25  1  0  0  0  0
 14 18  2  0  0  0  0
 14 26  1  0  0  0  0
 15 17  2  0  0  0  0
 15 27  1  0  0  0  0
 16 18  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
82143

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
316

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7AAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFix0AAAHAAAAAAADAiBHgQywPMMEACgAyRiRACCgCQhEiAI2CA4dJgIYOLA0dGUJAhggADIyAcQgMAOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-methylindolo[3,2-b]quinoline

> <PUBCHEM_IUPAC_CAS_NAME>
5-methylindolo[3,2-b]quinoline

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-methylindolo[3,2-b]quinoline

> <PUBCHEM_IUPAC_NAME>
5-methylindolo[3,2-b]quinoline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-methylindolo[3,2-b]quinoline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-methylquindoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H12N2/c1-18-15-9-5-2-6-11(15)10-14-16(18)12-7-3-4-8-13(12)17-14/h2-10H,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
KURWKDDWCJELSV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.3

> <PUBCHEM_EXACT_MASS>
232.100048391

> <PUBCHEM_MOLECULAR_FORMULA>
C16H12N2

> <PUBCHEM_MOLECULAR_WEIGHT>
232.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C2=CC=CC=C2C=C3C1=C4C=CC=CC4=N3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C2=CC=CC=C2C=C3C1=C4C=CC=CC4=N3

> <PUBCHEM_CACTVS_TPSA>
17.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
232.100048391

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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>
1  3  8
1  6  8
11  16  8
12  15  8
13  17  8
14  18  8
15  17  8
16  18  8
2  4  8
2  8  8
3  5  8
4  9  8
5  11  8
5  8  8
6  12  8
6  7  8
7  13  8
7  9  8
8  14  8

$$$$