11501692
  -OEChem-05142404412D

 41 45  0     0  0  0  0  0  0999 V2000
    2.8660    4.1577    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6800   -1.3908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3422    4.2270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5172   -4.5390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.1577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.1577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6881   -0.3491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4802   -1.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5821   -1.9116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4480    2.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2401    1.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4321   -1.9044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3461    3.2270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5738   -2.9965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2482    2.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.6577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4488   -2.9893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5134   -3.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.1577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.6577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.6577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4835    0.2361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0764   -0.4505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.1523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9076    3.0030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7734    1.3484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9630   -1.5841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0356   -3.3045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7863    3.0141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.9677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9893   -3.2931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.3477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.9677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8780    4.5390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2 11  1  0  0  0  0
  2 14  1  0  0  0  0
  3 18  1  0  0  0  0
  3 41  1  0  0  0  0
  4 24  2  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 14  1  0  0  0  0
 12 17  1  0  0  0  0
 13 21  2  0  0  0  0
 13 22  1  0  0  0  0
 14 19  2  0  0  0  0
 15 18  2  0  0  0  0
 15 31  1  0  0  0  0
 16 20  2  0  0  0  0
 16 32  1  0  0  0  0
 17 23  2  0  0  0  0
 17 33  1  0  0  0  0
 18 20  1  0  0  0  0
 19 24  1  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
 21 25  1  0  0  0  0
 21 36  1  0  0  0  0
 22 26  2  0  0  0  0
 22 37  1  0  0  0  0
 23 24  1  0  0  0  0
 23 38  1  0  0  0  0
 25 27  2  0  0  0  0
 26 27  1  0  0  0  0
 26 39  1  0  0  0  0
 27 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11501692

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
793

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB6MAAEAAAAAAAAAAAAAAAAAAAAAAAwYIECAAAAAACBQAAAHgIQCAAADA6hmCIwxoLABgCIAqRSQACCCAAhJwAIiAAGbsgIJiLDs5OGcAhm0BHI+YewwPAOAEABIAACAAAAgAJAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
7-(3-chlorophenyl)-9-hydroxy-6,12-dihydrochromeno[4,3-b]quinolin-3-one

> <PUBCHEM_IUPAC_CAS_NAME>
7-(3-chlorophenyl)-9-hydroxy-6,12-dihydro[1]benzopyrano[4,3-b]quinolin-3-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
7-(3-chlorophenyl)-9-hydroxy-6,12-dihydrochromeno[4,3-b]quinolin-3-one

> <PUBCHEM_IUPAC_NAME>
7-(3-chlorophenyl)-9-hydroxy-6,12-dihydrochromeno[4,3-b]quinolin-3-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
7-(3-chlorophenyl)-9-oxidanyl-6,12-dihydrochromeno[4,3-b]quinolin-3-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
7-(3-chlorophenyl)-9-hydroxy-6,12-dihydrochromeno[4,3-b]quinolin-3-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H14ClNO3/c23-13-3-1-2-12(8-13)21-17-9-14(25)5-7-19(17)24-22-16-6-4-15(26)10-20(16)27-11-18(21)22/h1-10,24-25H,11H2

> <PUBCHEM_IUPAC_INCHIKEY>
WRLXXDUXRAWYQD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.2

> <PUBCHEM_EXACT_MASS>
375.0662210

> <PUBCHEM_MOLECULAR_FORMULA>
C22H14ClNO3

> <PUBCHEM_MOLECULAR_WEIGHT>
375.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C2=C(C3=C(C=CC(=C3)O)NC2=C4C=CC(=O)C=C4O1)C5=CC(=CC=C5)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C2=C(C3=C(C=CC(=C3)O)NC2=C4C=CC(=O)C=C4O1)C5=CC(=CC=C5)Cl

> <PUBCHEM_CACTVS_TPSA>
58.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
375.0662210

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <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>
10  16  8
13  21  8
13  22  8
15  18  8
16  20  8
18  20  8
21  25  8
22  26  8
25  27  8
26  27  8
9  10  8
9  15  8

$$$$