69553079
  -OEChem-05102423402D

 40 42  0     1  0  0  0  0  0999 V2000
    4.4487    2.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    2.2073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2087   -2.8273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    0.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782    1.7018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    0.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    0.2073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5000    1.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    0.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -1.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -2.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -2.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2087   -0.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1147   -1.2718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1147   -2.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1026    1.0450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0982    1.7018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5430    2.3185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1675   -0.0638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9791   -0.2363    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9856   -0.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6916    2.4994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9336    2.1619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984    1.4082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851    0.5830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5268    0.1247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9253    0.8150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0457   -0.9827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0457   -2.6027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2015   -0.1380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -3.4127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    2.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7177    1.8973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6505   -0.9598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6505   -2.6256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 14  1  0  0  0  0
  2 37  1  0  0  0  0
  2 38  1  0  0  0  0
  3 15  1  0  0  0  0
  3 20  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 21  1  0  0  0  0
  5  8  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  9  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 14  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 17  1  0  0  0  0
 13 16  2  0  0  0  0
 13 33  1  0  0  0  0
 15 18  2  0  0  0  0
 16 18  1  0  0  0  0
 16 34  1  0  0  0  0
 17 19  2  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69553079

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
338

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAYAAAAA8QAAAAAAAAACx8AAAHgAQAAAADQjBngQ8wPJIEACoAzV3VACCgCAxAiAI2CE4ZJgIIPLAkZGEIAhgkADIyAcYiMCOgAAAQAASAAAAAACAACQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-cyclopentyl-3-(5-quinolyl)propanamide

> <PUBCHEM_IUPAC_CAS_NAME>
3-cyclopentyl-3-(5-quinolinyl)propanamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-cyclopentyl-3-quinolin-5-ylpropanamide

> <PUBCHEM_IUPAC_NAME>
3-cyclopentyl-3-quinolin-5-ylpropanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-cyclopentyl-3-quinolin-5-yl-propanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-cyclopentyl-3-(5-quinolyl)propionamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H20N2O/c18-17(20)11-15(12-5-1-2-6-12)13-7-3-9-16-14(13)8-4-10-19-16/h3-4,7-10,12,15H,1-2,5-6,11H2,(H2,18,20)

> <PUBCHEM_IUPAC_INCHIKEY>
LDMIUWNDOHCAQW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.3

> <PUBCHEM_EXACT_MASS>
268.157563266

> <PUBCHEM_MOLECULAR_FORMULA>
C17H20N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
268.35

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(C1)C(CC(=O)N)C2=C3C=CC=NC3=CC=C2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC(C1)C(CC(=O)N)C2=C3C=CC=NC3=CC=C2

> <PUBCHEM_CACTVS_TPSA>
56

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
268.157563266

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
11  12  8
11  13  8
12  15  8
12  17  8
13  16  8
15  18  8
16  18  8
17  19  8
19  20  8
3  15  8
3  20  8
7  10  3

$$$$