54698086
  -OEChem-04262402132D

 38 39  0     0  0  0  0  0  0999 V2000
    6.3981    1.8571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.1429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.1429    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.3571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -1.1671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -0.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -1.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381    0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    0.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718   -2.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5287    1.3320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7316    1.3320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -1.7976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.7629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    1.5117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1963    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1722    0.3201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991    1.1671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5522    1.3940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3762   -0.6429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -1.2629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6162   -0.6429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079   -0.1323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619   -0.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921   -1.2086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2518   -2.1695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8742   -2.7871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4918   -2.1647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    2.1671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 38  1  0  0  0  0
  2 12  2  0  0  0  0
  3  8  1  0  0  0  0
  3 12  1  0  0  0  0
  3 23  1  0  0  0  0
  4  9  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5 11  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  7 14  1  0  0  0  0
  8 13  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 11 13  2  0  0  0  0
 11 15  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  2  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
54698086

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
390

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACBAAAAHgAQCAAADAzBmAQywIPAAgCIAiVSUACCAAAhIgAIiAEIbMgIJirA0dGEcAhm1AHI2QeQ0CMOCAAAAAQCAAAQAAAACAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
7-(dimethylamino)-3-[(dimethylamino)methyl]-4-hydroxy-1H-quinolin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
7-(dimethylamino)-3-[(dimethylamino)methyl]-4-hydroxy-1H-quinolin-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
7-(dimethylamino)-3-[(dimethylamino)methyl]-4-hydroxy-1<I>H</I>-quinolin-2-one

> <PUBCHEM_IUPAC_NAME>
7-(dimethylamino)-3-[(dimethylamino)methyl]-4-hydroxy-1H-quinolin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
7-(dimethylamino)-3-[(dimethylamino)methyl]-4-oxidanyl-1H-quinolin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
7-(dimethylamino)-3-[(dimethylamino)methyl]-4-hydroxy-carbostyril

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H19N3O2/c1-16(2)8-11-13(18)10-6-5-9(17(3)4)7-12(10)15-14(11)19/h5-7H,8H2,1-4H3,(H2,15,18,19)

> <PUBCHEM_IUPAC_INCHIKEY>
HMWCZXVCLFOZSZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.7

> <PUBCHEM_EXACT_MASS>
261.147726857

> <PUBCHEM_MOLECULAR_FORMULA>
C14H19N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
261.32

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)CC1=C(C2=C(C=C(C=C2)N(C)C)NC1=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)CC1=C(C2=C(C=C(C=C2)N(C)C)NC1=O)O

> <PUBCHEM_CACTVS_TPSA>
55.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
261.147726857

> <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>
11  13  8
11  15  8
14  15  8
3  12  8
3  8  8
6  10  8
6  12  8
7  10  8
7  14  8
7  8  8
8  13  8

$$$$