21002833
  -OEChem-06191306382D

 48 51  0     0  0  0  0  0  0999 V2000
    2.8660   -2.0173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    1.9585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.4827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.9827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    1.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    4.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    2.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    3.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    2.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    0.3750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    1.0653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    1.0653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    0.3750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.4097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -1.0999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -1.0999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -0.4097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.2073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509    1.3280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -3.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509    4.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.7927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998    3.8156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.9804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.0543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3041    1.9170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5343    2.7631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6882    2.9933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 25  1  0  0  0  0
  2 23  1  0  0  0  0
  2 26  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  5 11  2  0  0  0  0
  5 22  1  0  0  0  0
  6 16  1  0  0  0  0
  6 22  2  0  0  0  0
  7  9  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 10  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 15 35  1  0  0  0  0
 16 20  1  0  0  0  0
 17 23  2  0  0  0  0
 17 36  1  0  0  0  0
 18 21  1  0  0  0  0
 18 37  1  0  0  0  0
 19 21  2  0  0  0  0
 19 38  1  0  0  0  0
 20 24  2  0  0  0  0
 20 39  1  0  0  0  0
 21 41  1  0  0  0  0
 22 40  1  0  0  0  0
 23 24  1  0  0  0  0
 24 42  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
 25 45  1  0  0  0  0
 26 46  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
21002833

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
444

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx9AAAHgAAAAAADAzBngY39vcIFACgAyZjZACCiCkxIqAJ2CA/bJiObqLE+duVNChswBPY6CewwBAOAEABAAACEAAAgAIAAAQgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline

> <PUBCHEM_IUPAC_CAS_NAME>
6-methoxy-4-[4-(2-methoxyphenyl)-1-piperazinyl]quinazoline

> <PUBCHEM_IUPAC_NAME>
6-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-methoxy-4-[4-(2-methoxyphenyl)piperazino]quinazoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H22N4O2/c1-25-15-7-8-17-16(13-15)20(22-14-21-17)24-11-9-23(10-12-24)18-5-3-4-6-19(18)26-2/h3-8,13-14H,9-12H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
SIWDTVXYTYLHEW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.5

> <PUBCHEM_EXACT_MASS>
350.174276

> <PUBCHEM_MOLECULAR_FORMULA>
C20H22N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
350.41428

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC2=C(C=C1)N=CN=C2N3CCN(CC3)C4=CC=CC=C4OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC2=C(C=C1)N=CN=C2N3CCN(CC3)C4=CC=CC=C4OC

> <PUBCHEM_CACTVS_TPSA>
50.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
350.174276

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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>
11  13  8
12  14  8
12  15  8
13  16  8
13  17  8
14  18  8
15  19  8
16  20  8
17  23  8
18  21  8
19  21  8
20  24  8
23  24  8
5  11  8
5  22  8
6  16  8
6  22  8

$$$$