320350
  -OEChem-05241313212D

 42 45  0     0  0  0  0  0  0999 V2000
    3.7320    1.0173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6420   -2.4896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    1.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    4.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500   -3.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501   -3.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    3.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7480   -4.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    0.4347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    1.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -1.0653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -0.3750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1754   -2.1734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169    1.3627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.6727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    3.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3095   -3.8280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169    4.6719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659    2.1844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1882   -3.8391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659    3.8502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7456   -4.6720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 14  2  0  0  0  0
  3 13  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 14  1  0  0  0  0
  6 10  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 10  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 12  1  0  0  0  0
  8 16  2  0  0  0  0
  9 11  1  0  0  0  0
  9 15  2  0  0  0  0
 11 18  1  0  0  0  0
 11 22  2  0  0  0  0
 12 17  1  0  0  0  0
 12 21  2  0  0  0  0
 13 20  1  0  0  0  0
 14 19  1  0  0  0  0
 15 24  1  0  0  0  0
 15 31  1  0  0  0  0
 16 23  1  0  0  0  0
 16 32  1  0  0  0  0
 17 20  2  0  0  0  0
 17 34  1  0  0  0  0
 18 19  2  0  0  0  0
 18 33  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 25  1  0  0  0  0
 21 38  1  0  0  0  0
 22 26  1  0  0  0  0
 22 37  1  0  0  0  0
 23 25  2  0  0  0  0
 23 39  1  0  0  0  0
 24 26  2  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
320350

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
600

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAAwYIEAAAAAAACBQAAAHgAAAAAADAzBmAQwwIMAAACIAqVSUACCAAAhAgAIiACIZMgIICLA0bGEIAhghgDIyYcQgAAOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[2-oxo-3-(2-oxo-1-quinolyl)propyl]quinolin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
1-[2-oxo-3-(2-oxo-1-quinolinyl)propyl]-2-quinolinone

> <PUBCHEM_IUPAC_NAME>
1-[2-oxo-3-(2-oxoquinolin-1-yl)propyl]quinolin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[2-oxidanylidene-3-(2-oxidanylidenequinolin-1-yl)propyl]quinolin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[2-keto-3-(2-keto-1-quinolyl)propyl]carbostyril

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H16N2O3/c24-17(13-22-18-7-3-1-5-15(18)9-11-20(22)25)14-23-19-8-4-2-6-16(19)10-12-21(23)26/h1-12H,13-14H2

> <PUBCHEM_IUPAC_INCHIKEY>
XSCNBNAJPFYOEB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.6

> <PUBCHEM_EXACT_MASS>
344.116092

> <PUBCHEM_MOLECULAR_FORMULA>
C21H16N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
344.36334

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C=CC(=O)N2CC(=O)CN3C(=O)C=CC4=CC=CC=C43

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C=CC(=O)N2CC(=O)CN3C(=O)C=CC4=CC=CC=C43

> <PUBCHEM_CACTVS_TPSA>
57.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
344.116092

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  18  8
11  22  8
12  17  8
12  21  8
13  20  8
14  19  8
15  24  8
16  23  8
17  20  8
18  19  8
21  25  8
22  26  8
23  25  8
24  26  8
4  13  8
4  8  8
5  14  8
5  9  8
8  12  8
8  16  8
9  11  8
9  15  8

$$$$