856019
  -OEChem-06192423162D

 24 25  0     0  0  0  0  0  0999 V2000
    2.0000    2.5173    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920   -2.5173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920   -0.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.6727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848    0.1720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338   -0.6498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338   -2.3156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766    1.9097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781    2.5999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 14  2  0  0  0  0
  3  6  1  0  0  0  0
  3 14  1  0  0  0  0
  3 19  1  0  0  0  0
  4  7  1  0  0  0  0
  4 13  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  9 12  2  0  0  0  0
  9 17  1  0  0  0  0
 10 11  2  0  0  0  0
 10 18  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 15 23  1  0  0  0  0
 15 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
856019

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
235

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAEAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHgIQAAAADAvBnkQ8wPLIEACoAzV3VACCgCAxAiAI2CA4ZJhIIOLA0dHEJAhglADIyAcQgIAOAAAAAAQCAAAAAAAACAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-chloro-N-(5-quinolyl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-chloro-N-(5-quinolinyl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-chloro-<I>N</I>-quinolin-5-ylacetamide

> <PUBCHEM_IUPAC_NAME>
2-chloro-N-quinolin-5-ylacetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-chloranyl-N-quinolin-5-yl-ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-chloro-N-(5-quinolyl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H9ClN2O/c12-7-11(15)14-10-5-1-4-9-8(10)3-2-6-13-9/h1-6H,7H2,(H,14,15)

> <PUBCHEM_IUPAC_INCHIKEY>
IQXGPGINYWVRSU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
2.4

> <PUBCHEM_EXACT_MASS>
220.0403406

> <PUBCHEM_MOLECULAR_FORMULA>
C11H9ClN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
220.65

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC2=C(C=CC=N2)C(=C1)NC(=O)CCl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC2=C(C=CC=N2)C(=C1)NC(=O)CCl

> <PUBCHEM_CACTVS_TPSA>
42

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
220.0403406

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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>
7

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  11  8
12  13  8
4  13  8
4  7  8
5  6  8
5  7  8
5  9  8
6  8  8
7  10  8
8  11  8
9  12  8

$$$$
