43072701
  -OEChem-04242412272D

 61 64  0     1  0  0  0  0  0999 V2000
    7.2641    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.8622   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8063    0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2048    1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2516    1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6501    0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2048    1.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8063    2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6501    2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2516    1.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1267    2.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3297    2.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3947   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5976   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1312   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8612   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3252   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1312   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7781   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0181   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5101   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7501   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7081    0.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0881    1.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
  2 24  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 12  1  0  0  0  0
  4 14  1  0  0  0  0
  4 18  1  0  0  0  0
  4 22  1  0  0  0  0
  5 16  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6 23  2  0  0  0  0
  6 26  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 11  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 11  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  1  0  0  0  0
 12 15  2  0  0  0  0
 13 14  1  0  0  0  0
 13 17  2  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 19  1  0  0  0  0
 15 44  1  0  0  0  0
 16 18  1  0  0  0  0
 16 21  1  0  0  0  0
 16 45  1  0  0  0  0
 17 20  1  0  0  0  0
 17 46  1  0  0  0  0
 19 20  2  0  0  0  0
 19 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 49  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
 22 52  1  0  0  0  0
 22 53  1  0  0  0  0
 22 54  1  0  0  0  0
 23 27  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 28  2  0  0  0  0
 26 29  2  0  0  0  0
 27 55  1  0  0  0  0
 27 56  1  0  0  0  0
 27 57  1  0  0  0  0
 28 30  1  0  0  0  0
 28 58  1  0  0  0  0
 29 31  1  0  0  0  0
 29 59  1  0  0  0  0
 30 31  2  0  0  0  0
 30 60  1  0  0  0  0
 31 61  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
43072701

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
687

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8YIEAAAAAAACBQAAAHgAAAAAADCjBmAQzwIMAAACoAidydACCAAElAgAJiAGYZMgIYDrA3bGUIYhghgDIyccYiACOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-methyl-2-(2-methyl-4-oxo-quinazolin-3-yl)-N-[[2-(1-piperidyl)phenyl]methyl]propanamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-methyl-2-(2-methyl-4-oxo-3-quinazolinyl)-N-[[2-(1-piperidinyl)phenyl]methyl]propanamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-methyl-2-(2-methyl-4-oxoquinazolin-3-yl)-<I>N</I>-[(2-piperidin-1-ylphenyl)methyl]propanamide

> <PUBCHEM_IUPAC_NAME>
N-methyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(2-piperidin-1-ylphenyl)methyl]propanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-methyl-2-(2-methyl-4-oxidanylidene-quinazolin-3-yl)-N-[(2-piperidin-1-ylphenyl)methyl]propanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(4-keto-2-methyl-quinazolin-3-yl)-N-methyl-N-(2-piperidinobenzyl)propionamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H30N4O2/c1-18(29-19(2)26-22-13-7-6-12-21(22)25(29)31)24(30)27(3)17-20-11-5-8-14-23(20)28-15-9-4-10-16-28/h5-8,11-14,18H,4,9-10,15-17H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
SWXBQHATKZVBPL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.3

> <PUBCHEM_EXACT_MASS>
418.23687621

> <PUBCHEM_MOLECULAR_FORMULA>
C25H30N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
418.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=NC2=CC=CC=C2C(=O)N1C(C)C(=O)N(C)CC3=CC=CC=C3N4CCCCC4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=NC2=CC=CC=C2C(=O)N1C(C)C(=O)N(C)CC3=CC=CC=C3N4CCCCC4

> <PUBCHEM_CACTVS_TPSA>
56.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
418.23687621

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <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>
12  13  8
12  15  8
13  17  8
15  19  8
16  21  3
17  20  8
19  20  8
24  25  8
25  26  8
25  28  8
26  29  8
28  30  8
29  31  8
30  31  8
5  23  8
5  24  8
6  23  8
6  26  8

$$$$