60237154
  -OEChem-04272401042D

 56 58  0     1  0  0  0  0  0999 V2000
    4.6660   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.7500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5321   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    2.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    4.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3200   -1.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9215   -2.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7441   -3.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1426   -3.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4540   -3.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0555   -3.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8781   -5.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2766   -4.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1426    0.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7441    1.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0555    1.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4540    0.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7272   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4900   -4.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2631   -5.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1100   -5.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331   -1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -4.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    1.5954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    4.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    2.4171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    4.0829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2 21  2  0  0  0  0
  3 25  2  0  0  0  0
  4  7  1  0  0  0  0
  4 15  1  0  0  0  0
  4 37  1  0  0  0  0
  5 14  1  0  0  0  0
  5 18  1  0  0  0  0
  5 21  1  0  0  0  0
  6 21  1  0  0  0  0
  6 25  1  0  0  0  0
  6 52  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 12  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 19  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 16 22  1  0  0  0  0
 16 44  1  0  0  0  0
 17 23  2  0  0  0  0
 17 45  1  0  0  0  0
 18 20  1  0  0  0  0
 18 24  2  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 19 48  1  0  0  0  0
 20 25  1  0  0  0  0
 20 27  2  0  0  0  0
 22 26  2  0  0  0  0
 22 49  1  0  0  0  0
 23 26  1  0  0  0  0
 23 50  1  0  0  0  0
 24 28  1  0  0  0  0
 24 51  1  0  0  0  0
 26 53  1  0  0  0  0
 27 29  1  0  0  0  0
 27 54  1  0  0  0  0
 28 29  2  0  0  0  0
 28 55  1  0  0  0  0
 29 56  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60237154

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
574

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACxQAAAHgAQAAAADCjBmAQzwIPAAACIAiVSUACCAAAlAgAIiIEIZMiIIDrA1ZGEIYholyLIyecYiMCOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(2,4-dioxoquinazolin-1-yl)-N-(1-phenylhexyl)propanamide

> <PUBCHEM_IUPAC_CAS_NAME>
3-(2,4-dioxo-1-quinazolinyl)-N-(1-phenylhexyl)propanamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-(2,4-dioxoquinazolin-1-yl)-<I>N</I>-(1-phenylhexyl)propanamide

> <PUBCHEM_IUPAC_NAME>
3-(2,4-dioxoquinazolin-1-yl)-N-(1-phenylhexyl)propanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-[2,4-bis(oxidanylidene)quinazolin-1-yl]-N-(1-phenylhexyl)propanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(2,4-diketoquinazolin-1-yl)-N-(1-phenylhexyl)propionamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H27N3O3/c1-2-3-5-13-19(17-10-6-4-7-11-17)24-21(27)15-16-26-20-14-9-8-12-18(20)22(28)25-23(26)29/h4,6-12,14,19H,2-3,5,13,15-16H2,1H3,(H,24,27)(H,25,28,29)

> <PUBCHEM_IUPAC_INCHIKEY>
ROQYHUHXIMVHCG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.7

> <PUBCHEM_EXACT_MASS>
393.20524173

> <PUBCHEM_MOLECULAR_FORMULA>
C23H27N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
393.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCC(C1=CC=CC=C1)NC(=O)CCN2C3=CC=CC=C3C(=O)NC2=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCC(C1=CC=CC=C1)NC(=O)CCN2C3=CC=CC=C3C(=O)NC2=O

> <PUBCHEM_CACTVS_TPSA>
78.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
393.20524173

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <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  16  8
11  17  8
16  22  8
17  23  8
18  20  8
18  24  8
20  25  8
20  27  8
22  26  8
23  26  8
24  28  8
27  29  8
28  29  8
5  18  8
5  21  8
6  21  8
6  25  8
7  8  3

$$$$