2920571
  -OEChem-05052423482D

 38 40  0     1  0  0  0  0  0999 V2000
    6.1808    3.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4782    1.4945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7166   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9407   -0.0347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3147    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    0.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9407    2.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8468    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8468    0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7166   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9118   -0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9856   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7778    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5402   -0.5132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7947   -3.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1933   -2.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9336    2.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    0.7716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478    2.2688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3825    1.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7177   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3825    0.1671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4066   -2.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1797   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0266   -3.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2  9  1  0  0  0  0
  2 20  1  0  0  0  0
  3 10  1  0  0  0  0
  3 34  1  0  0  0  0
  4 16  2  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  5 25  1  0  0  0  0
  6 12  1  0  0  0  0
  6 22  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 24  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 15  2  0  0  0  0
 10 12  2  0  0  0  0
 11 14  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 17 23  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 21  2  0  0  0  0
 18 30  1  0  0  0  0
 19 20  2  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
 21 22  1  0  0  0  0
 21 33  1  0  0  0  0
 22 35  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
 23 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2920571

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
423

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MAAEAAAAAAAAAAAAAAAAASAAAAA8QAAAAAAAAACx/AAAHgIQCAAADC7hniY+xvLIFkCoA7131ASCiCA1ZyAI2KG/btgOJvLXt7uHeSjm1hHY+Yfa2fOeQCABYAILEACAQALABBYgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[(5-chloro-8-hydroxy-7-quinolyl)-(2-furyl)methyl]propanamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[(5-chloro-8-hydroxy-7-quinolinyl)-(2-furanyl)methyl]propanamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]propanamide

> <PUBCHEM_IUPAC_NAME>
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]propanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)-(furan-2-yl)methyl]propanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[(5-chloro-8-hydroxy-7-quinolyl)-(2-furyl)methyl]propionamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H15ClN2O3/c1-2-14(21)20-15(13-6-4-8-23-13)11-9-12(18)10-5-3-7-19-16(10)17(11)22/h3-9,15,22H,2H2,1H3,(H,20,21)

> <PUBCHEM_IUPAC_INCHIKEY>
UPLAQKIMKDWICQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
330.0771200

> <PUBCHEM_MOLECULAR_FORMULA>
C17H15ClN2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
330.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC(=O)NC(C1=CC=CO1)C2=CC(=C3C=CC=NC3=C2O)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC(=O)NC(C1=CC=CO1)C2=CC(=C3C=CC=NC3=C2O)Cl

> <PUBCHEM_CACTVS_TPSA>
75.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
330.0771200

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
10  12  8
11  14  8
12  13  8
13  14  8
13  18  8
15  19  8
18  21  8
19  20  8
2  20  8
2  9  8
21  22  8
7  5  3
6  12  8
6  22  8
8  10  8
8  11  8
9  15  8

$$$$