69244402
  -OEChem-05082415052D

 41 43  0     0  0  0  0  0  0999 V2000
    4.6660   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -1.7500    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
    7.2641    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.2500    0.0000 N   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
    8.1301    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.7500    0.0000 C   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
    3.8000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.2500    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   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    1.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7708    0.0000 C   0  0  0  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
   10.7282   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5287    1.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7316    1.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4592   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -1.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    1.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2651    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2651   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.5829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    1.0829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2221   -2.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8421   -1.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4182   -2.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2651   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0382   -1.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 23  1  0  0  0  0
  2 17  1  0  0  0  0
  2 24  1  0  0  0  0
  3 15  2  0  0  0  0
  4  7  1  0  0  0  0
  4 15  1  0  0  0  0
  4 27  1  0  0  0  0
  5 10  1  0  0  0  0
  5 12  2  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 11  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 16  2  0  0  0  0
 10 18  2  0  0  0  0
 11 17  1  0  0  0  0
 11 28  1  0  0  0  0
 12 15  1  0  0  0  0
 14 19  2  0  0  0  0
 14 29  1  0  0  0  0
 16 21  1  0  0  0  0
 16 30  1  0  0  0  0
 17 20  2  0  0  0  0
 18 22  1  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  2  0  0  0  0
 21 34  1  0  0  0  0
 22 35  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
 23 38  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69244402

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
420

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx9AAAHgAQAAAADAzBnwYz1vbIFACoAydydACCiCkjIqAJmKC+bJiMbqLE+fuUNChuxhvI6CewwDAOAAABAAACAAAAAAIAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-methoxy-N-[(3-methoxyphenyl)methyl]quinazoline-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-methoxy-N-[(3-methoxyphenyl)methyl]-2-quinazolinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-methoxy-<I>N</I>-[(3-methoxyphenyl)methyl]quinazoline-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
4-methoxy-N-[(3-methoxyphenyl)methyl]quinazoline-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-methoxy-N-[(3-methoxyphenyl)methyl]quinazoline-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-m-anisyl-4-methoxy-quinazoline-2-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H17N3O3/c1-23-13-7-5-6-12(10-13)11-19-17(22)16-20-15-9-4-3-8-14(15)18(21-16)24-2/h3-10H,11H2,1-2H3,(H,19,22)

> <PUBCHEM_IUPAC_INCHIKEY>
GTLDDYMBBXNBMV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
323.12699141

> <PUBCHEM_MOLECULAR_FORMULA>
C18H17N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
323.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=CC(=C1)CNC(=O)C2=NC3=CC=CC=C3C(=N2)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=CC(=C1)CNC(=O)C2=NC3=CC=CC=C3C(=N2)OC

> <PUBCHEM_CACTVS_TPSA>
73.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
323.12699141

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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  18  8
11  17  8
14  19  8
16  21  8
17  20  8
18  22  8
19  20  8
21  22  8
5  10  8
5  12  8
6  12  8
6  13  8
8  11  8
8  14  8
9  10  8
9  13  8
9  16  8

$$$$