66816023
  -OEChem-04252423402D

 55 58  0     0  0  0  0  0  0999 V2000
    7.2641   -0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942   -0.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3263   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3263   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1923   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1923   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0583   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0583   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4603   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    1.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7894   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7157   -1.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1142   -2.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5908    0.4149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7938    0.4149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7938   -2.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5908   -2.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6689   -0.6677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2704    0.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2704   -2.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6689   -1.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8588    0.4149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0617    0.4149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942   -1.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -1.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2651    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4592   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5287    1.9150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7316    1.9150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    2.0946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -1.2146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    1.2729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.3929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  2  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 42  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 49  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 29  1  0  0  0  0
  6  8  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7  9  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8 10  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 16  1  0  0  0  0
 13 43  1  0  0  0  0
 14 17  2  0  0  0  0
 14 44  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 45  1  0  0  0  0
 17 46  1  0  0  0  0
 18 19  1  0  0  0  0
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
 20 22  2  0  0  0  0
 20 24  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 25  2  0  0  0  0
 22 50  1  0  0  0  0
 23 26  2  0  0  0  0
 24 51  1  0  0  0  0
 25 27  1  0  0  0  0
 25 52  1  0  0  0  0
 26 28  1  0  0  0  0
 26 53  1  0  0  0  0
 27 28  2  0  0  0  0
 27 54  1  0  0  0  0
 28 55  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
66816023

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
482

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAACx9AAAHgAQAAAADQjBngQ8wPLIEACoAzV3VACCgCAxEiAI2KE4dJgIYPLAlZGUIAhglADIyAcYiICOCAAAAAACAAAQAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[4-(cyclohexylmethylamino)phenyl]-N-(3-quinolyl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-[4-(cyclohexylmethylamino)phenyl]-N-(3-quinolinyl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[4-(cyclohexylmethylamino)phenyl]-<I>N</I>-quinolin-3-ylacetamide

> <PUBCHEM_IUPAC_NAME>
2-[4-(cyclohexylmethylamino)phenyl]-N-quinolin-3-ylacetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[4-(cyclohexylmethylamino)phenyl]-N-quinolin-3-yl-ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[4-(cyclohexylmethylamino)phenyl]-N-(3-quinolyl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H27N3O/c28-24(27-22-15-20-8-4-5-9-23(20)26-17-22)14-18-10-12-21(13-11-18)25-16-19-6-2-1-3-7-19/h4-5,8-13,15,17,19,25H,1-3,6-7,14,16H2,(H,27,28)

> <PUBCHEM_IUPAC_INCHIKEY>
SUDWGVAKSMCNKU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
5.9

> <PUBCHEM_EXACT_MASS>
373.215412493

> <PUBCHEM_MOLECULAR_FORMULA>
C24H27N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
373.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(CC1)CNC2=CC=C(C=C2)CC(=O)NC3=CC4=CC=CC=C4N=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC(CC1)CNC2=CC=C(C=C2)CC(=O)NC3=CC4=CC=CC=C4N=C3

> <PUBCHEM_CACTVS_TPSA>
54

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
373.215412493

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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>
12  13  8
12  14  8
13  16  8
14  17  8
15  16  8
15  17  8
20  22  8
20  24  8
21  22  8
21  23  8
21  25  8
23  26  8
25  27  8
26  28  8
27  28  8
4  23  8
4  24  8

$$$$