388029
  -OEChem-04192414572D

 31 34  0     0  0  0  0  0  0999 V2000
    5.9065    1.6796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0724   -0.5968    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    0.7753    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4223   -1.7107    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4033    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7123    1.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4092    0.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1028    1.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3596    0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6904    1.3053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0505   -0.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7276   -0.6306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0936    1.3263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3942    0.5628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7133   -0.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3750    0.7944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7355   -1.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7560   -0.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0779    0.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9055    2.2996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8820    1.8949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9255   -1.2182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9094    1.9183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2998   -0.8842    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5597    1.3862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5371   -1.7611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6838    0.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2282    1.3659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0292   -1.5841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2284   -2.2996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  1 20  1  0  0  0  0
  2  5  1  0  0  0  0
  2 11  2  0  0  0  0
  3 14  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4 18  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 16  1  0  0  0  0
 10 21  1  0  0  0  0
 11 17  1  0  0  0  0
 12 15  2  0  0  0  0
 12 22  1  0  0  0  0
 13 14  2  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 15 24  1  0  0  0  0
 16 19  2  0  0  0  0
 16 25  1  0  0  0  0
 17 18  2  0  0  0  0
 17 26  1  0  0  0  0
 18 19  1  0  0  0  0
 19 27  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
388029

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
347

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzgAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFix/gAAHAAQAAAADAiBHgAwwPLJkACgAyRiRACCgCQhEiAImSAwdJgIYOLA0dGUJAhgkADIyAcQgMAOCAAAAAQCAAAQAAAACAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
10H-indolo[3,2-b]quinoline-3,8-diamine

> <PUBCHEM_IUPAC_CAS_NAME>
10H-indolo[3,2-b]quinoline-3,8-diamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
10<I>H</I>-indolo[3,2-b]quinoline-3,8-diamine

> <PUBCHEM_IUPAC_NAME>
10H-indolo[3,2-b]quinoline-3,8-diamine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
10H-indolo[3,2-b]quinoline-3,8-diamine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3-amino-10H-quindolin-8-yl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H12N4/c16-9-2-1-8-5-14-15(19-12(8)6-9)11-4-3-10(17)7-13(11)18-14/h1-7,18H,16-17H2

> <PUBCHEM_IUPAC_INCHIKEY>
VXJCEYHNPBHQOS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
248.106196400

> <PUBCHEM_MOLECULAR_FORMULA>
C15H12N4

> <PUBCHEM_MOLECULAR_WEIGHT>
248.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC2=NC3=C(C=C21)NC4=C3C=CC(=C4)N)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC2=NC3=C(C=C21)NC4=C3C=CC(=C4)N)N

> <PUBCHEM_CACTVS_TPSA>
80.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
248.106196400

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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  6  8
1  8  8
11  17  8
12  15  8
13  14  8
14  15  8
16  19  8
17  18  8
18  19  8
2  11  8
2  5  8
5  6  8
5  7  8
6  10  8
7  12  8
7  8  8
8  13  8
9  10  8
9  11  8
9  16  8

$$$$