69672937
  -OEChem-04252406382D

 45 48  0     0  0  0  0  0  0999 V2000
    6.3981   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.2500    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    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    1.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.2500    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
    3.8000   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2292    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
    2.0000    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.7500    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
    3.8000   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -0.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    2.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2631   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.0829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    1.5829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2631   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6862    0.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3062    1.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8841    4.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    4.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6441    4.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7781   -4.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -4.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0181   -4.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 26  1  0  0  0  0
  2  6  2  0  0  0  0
  2  9  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  4 18  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  2  0  0  0  0
  6  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
 10 14  2  0  0  0  0
 11 17  1  0  0  0  0
 11 27  1  0  0  0  0
 12 19  1  0  0  0  0
 12 28  1  0  0  0  0
 13 21  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 14 29  1  0  0  0  0
 15 20  2  0  0  0  0
 15 24  1  0  0  0  0
 16 22  2  0  0  0  0
 16 31  1  0  0  0  0
 17 19  2  0  0  0  0
 17 32  1  0  0  0  0
 18 20  1  0  0  0  0
 18 25  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 22 35  1  0  0  0  0
 23 36  1  0  0  0  0
 24 37  1  0  0  0  0
 24 38  1  0  0  0  0
 24 39  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69672937

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
459

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx/AAAHgAAAAAADAyBnwIz1vYIFACgAyZiZACCiCkhIqAJmCA2bJiMbuLE+duUNChswBPI6CewwPAOAAABAAACAAAAAAIAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(4,6-dimethyl-2-pyridyl)-4-(3-methoxyphenyl)quinazoline

> <PUBCHEM_IUPAC_CAS_NAME>
2-(4,6-dimethyl-2-pyridinyl)-4-(3-methoxyphenyl)quinazoline

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(4,6-dimethylpyridin-2-yl)-4-(3-methoxyphenyl)quinazoline

> <PUBCHEM_IUPAC_NAME>
2-(4,6-dimethylpyridin-2-yl)-4-(3-methoxyphenyl)quinazoline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(4,6-dimethylpyridin-2-yl)-4-(3-methoxyphenyl)quinazoline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(4,6-dimethyl-2-pyridyl)-4-(3-methoxyphenyl)quinazoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H19N3O/c1-14-11-15(2)23-20(12-14)22-24-19-10-5-4-9-18(19)21(25-22)16-7-6-8-17(13-16)26-3/h4-13H,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
NJWMOGBAGHUTHP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
4.1

> <PUBCHEM_EXACT_MASS>
341.152812238

> <PUBCHEM_MOLECULAR_FORMULA>
C22H19N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
341.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=NC(=C1)C2=NC3=CC=CC=C3C(=N2)C4=CC(=CC=C4)OC)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=NC(=C1)C2=NC3=CC=CC=C3C(=N2)C4=CC(=CC=C4)OC)C

> <PUBCHEM_CACTVS_TPSA>
47.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
341.152812238

> <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>
10  14  8
11  17  8
12  19  8
13  21  8
14  15  8
15  20  8
16  22  8
17  19  8
18  20  8
2  6  8
2  9  8
21  23  8
22  23  8
3  7  8
3  9  8
4  10  8
4  18  8
5  11  8
5  6  8
5  7  8
7  12  8
8  13  8
8  16  8

$$$$