70413825
  -OEChem-04252409382D

 22 24  0     0  0  0  0  0  0999 V2000
    6.4783    0.1671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.6377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4783   -1.4424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.3623    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0619   -0.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6709    0.7564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    1.0170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -2.2923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6819   -0.6377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.1952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.4706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291    1.6723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2030    1.6723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 12  1  0  0  0  0
  1 15  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  2  0  0  0  0
  3  9  1  0  0  0  0
  3 12  2  0  0  0  0
  4  7  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  8 11  2  0  0  0  0
 10 13  1  0  0  0  0
 10 16  1  0  0  0  0
 11 14  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  2  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70413825

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
220

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzgAAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFix/gAAHAAQAAAADAiBHwQ18P7JkACgAyZjZACCgC2xEqAJ2aA4dJiIaOLA2dGUJAhogALIyCcQgIAOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1H-imidazo[4,5-b]quinolin-9-amine

> <PUBCHEM_IUPAC_CAS_NAME>
1H-imidazo[4,5-b]quinolin-9-amine

> <PUBCHEM_IUPAC_NAME_MARKUP>
1<I>H</I>-imidazo[4,5-b]quinolin-9-amine

> <PUBCHEM_IUPAC_NAME>
1H-imidazo[4,5-b]quinolin-9-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1H-imidazo[4,5-b]quinolin-9-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1H-imidazo[4,5-b]quinolin-9-ylamine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H8N4/c11-8-6-3-1-2-4-7(6)14-10-9(8)12-5-13-10/h1-5H,(H3,11,12,13,14)

> <PUBCHEM_IUPAC_INCHIKEY>
RBJWFBAQGBIJKK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.4

> <PUBCHEM_EXACT_MASS>
184.074896272

> <PUBCHEM_MOLECULAR_FORMULA>
C10H8N4

> <PUBCHEM_MOLECULAR_WEIGHT>
184.20

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C(=C3C(=N2)N=CN3)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C(=C3C(=N2)N=CN3)N

> <PUBCHEM_CACTVS_TPSA>
67.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
184.074896272

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <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  12  8
1  6  8
10  13  8
11  14  8
13  14  8
2  8  8
2  9  8
3  12  8
3  9  8
5  10  8
5  7  8
5  8  8
6  7  8
6  9  8
8  11  8

$$$$