70576736
  -OEChem-05052407462D

 57 59  0     1  0  0  0  0  0999 V2000
    8.1301   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680    1.0241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -1.0241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.0000    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    9.8622   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.5000    0.0000 C   0  0  3  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
    9.8622    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    2.5000    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
    8.9962   -0.5000    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
    9.8622   -2.0000    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
    5.5320    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -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
   10.7282   -2.5000    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
    4.6381    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718    2.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4592    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0742    0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4728    1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4728    1.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0742    2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3947    2.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5976    2.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9181    2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5195    1.8923    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
    9.6501   -2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1267   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3297   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4182   -3.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2651   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0382   -1.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2842   -1.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1312   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9042   -0.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8611   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4918    2.0218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8742    2.6441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2518    2.0265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079    0.0106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619   -0.2196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921   -1.0656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 25  1  0  0  0  0
  2 27  1  0  0  0  0
  3 26  1  0  0  0  0
  3 28  1  0  0  0  0
  4  9  1  0  0  0  0
  4 13  1  0  0  0  0
  4 15  1  0  0  0  0
  5 14  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 15  2  0  0  0  0
  6 18  1  0  0  0  0
  7 15  1  0  0  0  0
  7 20  2  0  0  0  0
  8 20  1  0  0  0  0
  8 50  1  0  0  0  0
  8 51  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  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
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 16 21  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 22  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  2  0  0  0  0
 19 20  1  0  0  0  0
 19 24  2  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 23 25  1  0  0  0  0
 23 48  1  0  0  0  0
 24 26  1  0  0  0  0
 24 49  1  0  0  0  0
 25 26  2  0  0  0  0
 27 52  1  0  0  0  0
 27 53  1  0  0  0  0
 27 54  1  0  0  0  0
 28 55  1  0  0  0  0
 28 56  1  0  0  0  0
 28 57  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70576736

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
518

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8WIAAAAAAAACx8AAAHgAQAAAADCzBngYz9vdIFACoAydydACCiCkhIqABmCG+7JiNbrLE+PuUNCpuxhvK6Ce42BMOIEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-N,N-diethyl-piperidine-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-N,N-diethyl-2-piperidinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-<I>N</I>,<I>N</I>-diethylpiperidine-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N,N-diethylpiperidine-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-N,N-diethyl-piperidine-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-N,N-diethyl-pipecolinamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H29N5O3/c1-5-24(6-2)19(26)15-9-7-8-10-25(15)20-22-14-12-17(28-4)16(27-3)11-13(14)18(21)23-20/h11-12,15H,5-10H2,1-4H3,(H2,21,22,23)

> <PUBCHEM_IUPAC_INCHIKEY>
BZVLFFLBEOOKLA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.7

> <PUBCHEM_EXACT_MASS>
387.22703980

> <PUBCHEM_MOLECULAR_FORMULA>
C20H29N5O3

> <PUBCHEM_MOLECULAR_WEIGHT>
387.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCN(CC)C(=O)C1CCCCN1C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCN(CC)C(=O)C1CCCCN1C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC

> <PUBCHEM_CACTVS_TPSA>
93.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
387.22703980

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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>
18  19  8
18  23  8
19  20  8
19  24  8
23  25  8
24  26  8
25  26  8
6  15  8
6  18  8
7  15  8
7  20  8
9  14  3

$$$$