214346
  -OEChem-05062404032D

 48 51  0     0  0  0  0  0  0999 V2000
    7.1270   -3.1192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2213    3.3492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -0.3145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    1.6855    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -0.3145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -3.3145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -1.8145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5548   -1.2798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6487   -1.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6487   -2.8353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5548   -3.3492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -2.8145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -1.8145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    1.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -2.8145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    2.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    1.1855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1270   -1.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782    2.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    0.1855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7106   -2.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4376   -0.5592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7106   -2.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9594   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1611   -0.8008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4396   -1.2100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0378   -1.8998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0378   -2.7292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4396   -3.4190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1611   -3.8282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9594   -3.8189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1675    0.9143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9791    0.7418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984    2.3863    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851    1.5612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6916    3.4776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9336    3.1401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0593    1.0778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6608    1.7681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8517   -0.0045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0270   -0.7519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6302    0.0301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8483   -0.3666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7106   -2.9345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3306   -2.3145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7106   -1.6945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 23  1  0  0  0  0
  2 21  2  0  0  0  0
  3 22  2  0  0  0  0
  4 15  1  0  0  0  0
  4 19  1  0  0  0  0
  4 21  1  0  0  0  0
  5 13  1  0  0  0  0
  5 22  1  0  0  0  0
  5 42  1  0  0  0  0
  6 12  1  0  0  0  0
  6 17  2  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 13 14  2  0  0  0  0
 14 17  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 18  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 18 21  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 22  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
 24 45  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
214346

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
540

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWJAAAA8QAAAAAAAAFix+AAAHgAQAAAADAzBngQCxNPIFECoA4VwVACCiCAtICAAmCG8TNgMZnrE9PuePajm1hnI6Ue82fGegAAAAAAAAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(2,3-dimethyl-5,6,7,8-tetrahydrofuro[2,3-b]quinolin-4-yl)-2-(2-oxopyrrolidin-1-yl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(2,3-dimethyl-5,6,7,8-tetrahydrofuro[2,3-b]quinolin-4-yl)-2-(2-oxo-1-pyrrolidinyl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(2,3-dimethyl-5,6,7,8-tetrahydrofuro[2,3-b]quinolin-4-yl)-2-(2-oxopyrrolidin-1-yl)acetamide

> <PUBCHEM_IUPAC_NAME>
N-(2,3-dimethyl-5,6,7,8-tetrahydrofuro[2,3-b]quinolin-4-yl)-2-(2-oxopyrrolidin-1-yl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(2,3-dimethyl-5,6,7,8-tetrahydrofuro[2,3-b]quinolin-4-yl)-2-(2-oxidanylidenepyrrolidin-1-yl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(2,3-dimethyl-5,6,7,8-tetrahydrofuro[2,3-b]quinolin-4-yl)-2-(2-ketopyrrolidino)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H23N3O3/c1-11-12(2)25-19-17(11)18(13-6-3-4-7-14(13)20-19)21-15(23)10-22-9-5-8-16(22)24/h3-10H2,1-2H3,(H,20,21,23)

> <PUBCHEM_IUPAC_INCHIKEY>
PSPGQHXMUKWNDI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
341.17394160

> <PUBCHEM_MOLECULAR_FORMULA>
C19H23N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
341.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(OC2=NC3=C(CCCC3)C(=C12)NC(=O)CN4CCCC4=O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(OC2=NC3=C(CCCC3)C(=C12)NC(=O)CN4CCCC4=O)C

> <PUBCHEM_CACTVS_TPSA>
75.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
341.17394160

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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>
1  17  8
1  23  8
13  14  8
14  17  8
14  20  8
20  23  8
6  12  8
6  17  8
7  12  8
7  13  8

$$$$