54688355
  -OEChem-05231319392D

 38 39  0     0  0  0  0  0  0999 V2000
    7.1962   -1.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561   -0.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561    1.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -0.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    0.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -2.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -1.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    0.4149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    0.4149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9490   -1.2146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.0231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560   -1.5231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760   -2.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9490    2.0946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3979   -0.3929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3979    1.2729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.8700    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  8  2  0  0  0  0
  3 14  2  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 10  2  0  0  0  0
  7 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 15  2  0  0  0  0
 11 17  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 16  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 18  2  0  0  0  0
 15 19  1  0  0  0  0
 15 28  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 29  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 20  1  0  0  0  0
 18 35  1  0  0  0  0
 19 20  2  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
54688355

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
427

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACBAAAAHgAQCAAADAzBmAQywIPAAgCIAiVSUACCAAAhIgAIiAEIbMgIJjLAkZGEcAhm1gHI2QeVwCAOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N,N-diethyl-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N,N-diethyl-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide

> <PUBCHEM_IUPAC_NAME>
N,N-diethyl-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N,N-diethyl-2-(4-oxidanyl-2-oxidanylidene-1H-quinolin-3-yl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N,N-diethyl-2-(4-hydroxy-2-keto-1H-quinolin-3-yl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H18N2O3/c1-3-17(4-2)13(18)9-11-14(19)10-7-5-6-8-12(10)16-15(11)20/h5-8H,3-4,9H2,1-2H3,(H2,16,19,20)

> <PUBCHEM_IUPAC_INCHIKEY>
UDRLOIWJHGWHNP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.8

> <PUBCHEM_EXACT_MASS>
274.131742

> <PUBCHEM_MOLECULAR_FORMULA>
C15H18N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
274.31502

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCN(CC)C(=O)CC1=C(C2=CC=CC=C2NC1=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCN(CC)C(=O)CC1=C(C2=CC=CC=C2NC1=O)O

> <PUBCHEM_CACTVS_TPSA>
69.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
274.131742

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
15

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
13  18  8
15  19  8
18  20  8
19  20  8
5  13  8
5  14  8
7  10  8
7  14  8
9  10  8
9  13  8
9  15  8

$$$$