25337150
  -OEChem-04242405162D

 37 39  0     0  0  0  0  0  0999 V2000
    3.8000   -0.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -3.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -3.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    2.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -3.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3200    1.3926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9215    0.7023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6101    0.7274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0087    1.4177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -1.0354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -4.3446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.8571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -3.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010    4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951    4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    4.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 16  2  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  3 27  1  0  0  0  0
  4  8  1  0  0  0  0
  4 16  1  0  0  0  0
  4 30  1  0  0  0  0
  5 14  1  0  0  0  0
  5 21  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 13  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 15  2  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 14  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 12 16  1  0  0  0  0
 12 28  1  0  0  0  0
 13 17  1  0  0  0  0
 13 29  1  0  0  0  0
 14 19  2  0  0  0  0
 15 18  1  0  0  0  0
 15 31  1  0  0  0  0
 17 18  2  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 20  1  0  0  0  0
 19 34  1  0  0  0  0
 20 22  2  0  0  0  0
 20 35  1  0  0  0  0
 21 22  1  0  0  0  0
 21 36  1  0  0  0  0
 22 37  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
25337150

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
461

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8QIAAAAAAAACBwAAAHgAQAAAADAjBngQ8wJLIEACoAzV3VACCgCAxAiAI2KE4ZNgIIPLA1ZGEIAhglgDIyYcciICOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-oxo-N-[2-(2-pyridyl)ethyl]-1H-quinoline-4-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-oxo-N-[2-(2-pyridinyl)ethyl]-1H-quinoline-4-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-oxo-<I>N</I>-(2-pyridin-2-ylethyl)-1<I>H</I>-quinoline-4-carboxamide

> <PUBCHEM_IUPAC_NAME>
2-oxo-N-(2-pyridin-2-ylethyl)-1H-quinoline-4-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-oxidanylidene-N-(2-pyridin-2-ylethyl)-1H-quinoline-4-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-keto-N-[2-(2-pyridyl)ethyl]-1H-quinoline-4-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H15N3O2/c21-16-11-14(13-6-1-2-7-15(13)20-16)17(22)19-10-8-12-5-3-4-9-18-12/h1-7,9,11H,8,10H2,(H,19,22)(H,20,21)

> <PUBCHEM_IUPAC_INCHIKEY>
OUIBRUCSSURELS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.3

> <PUBCHEM_EXACT_MASS>
293.116426730

> <PUBCHEM_MOLECULAR_FORMULA>
C17H15N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
293.32

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C(=CC(=O)N2)C(=O)NCCC3=CC=CC=N3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C(=CC(=O)N2)C(=O)NCCC3=CC=CC=N3

> <PUBCHEM_CACTVS_TPSA>
71.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
293.116426730

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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>
12  16  8
13  17  8
14  19  8
15  18  8
17  18  8
19  20  8
20  22  8
21  22  8
4  16  8
4  8  8
5  14  8
5  21  8
6  13  8
6  7  8
6  8  8
7  12  8
8  15  8

$$$$