71180762
  -OEChem-04182421232D

 46 50  0     0  0  0  0  0  0999 V2000
    8.1862    1.0137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0522   -0.4863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1862   -1.9863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7842    2.5137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6560   -1.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5201   -0.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7881   -0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3201   -0.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4262   -1.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3201    0.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9240   -1.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5201    0.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1862   -0.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6599   -2.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4262    1.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8001    0.5278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9278   -2.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7958   -2.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0120   -0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0522    0.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9001    1.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9182    1.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0522   -2.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7842    0.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9182    2.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6503    1.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6503    2.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4334   -1.6409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9844    0.8466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1980   -2.3183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4334    1.6684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3394    0.8337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3921   -2.3292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7982   -3.1337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4800   -0.8320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9001    1.6721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4607    0.8337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6492   -2.2963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7422   -3.0232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5891   -2.7963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3622   -1.9493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7842   -0.1063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3813    2.3237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1872    0.7037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1872    2.3237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 20  2  0  0  0  0
  2 13  2  0  0  0  0
  2 20  1  0  0  0  0
  3 13  1  0  0  0  0
  3 24  1  0  0  0  0
  3 39  1  0  0  0  0
  4 26  1  0  0  0  0
  4 28  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  2  0  0  0  0
  6  9  2  0  0  0  0
  6 12  1  0  0  0  0
  7 11  1  0  0  0  0
  7 16  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 29  1  0  0  0  0
 10 15  1  0  0  0  0
 11 17  1  0  0  0  0
 11 19  2  0  0  0  0
 12 15  2  0  0  0  0
 12 30  1  0  0  0  0
 14 18  1  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 21  1  0  0  0  0
 16 33  1  0  0  0  0
 17 18  2  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 22  1  0  0  0  0
 19 36  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
 24 42  1  0  0  0  0
 25 27  2  0  0  0  0
 25 43  1  0  0  0  0
 26 44  1  0  0  0  0
 27 28  1  0  0  0  0
 27 45  1  0  0  0  0
 28 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71180762

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
511

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7gAAAAAAAAAAAAAAAAAAAAAAAAAA8eMECAAAAAADx/AAAHAAQAAAADAjBHwQ/8PbIEACgAzZnZACCgCkxAqAJ2KA4ZJiIKOLA2dGEJAhogALIyCcQgMAOiAACAAASAAAQAAQAACQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-methyl-6-(1-naphthyl)-2-(3-pyridyl)quinazolin-4-amine

> <PUBCHEM_IUPAC_CAS_NAME>
N-methyl-6-(1-naphthalenyl)-2-(3-pyridinyl)-4-quinazolinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-methyl-6-naphthalen-1-yl-2-pyridin-3-ylquinazolin-4-amine

> <PUBCHEM_IUPAC_NAME>
N-methyl-6-naphthalen-1-yl-2-pyridin-3-ylquinazolin-4-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-methyl-6-naphthalen-1-yl-2-pyridin-3-yl-quinazolin-4-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
methyl-[6-(1-naphthyl)-2-(3-pyridyl)quinazolin-4-yl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H18N4/c1-25-24-21-14-17(20-10-4-7-16-6-2-3-9-19(16)20)11-12-22(21)27-23(28-24)18-8-5-13-26-15-18/h2-15H,1H3,(H,25,27,28)

> <PUBCHEM_IUPAC_INCHIKEY>
XCWBWYPTILMMBB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.3

> <PUBCHEM_EXACT_MASS>
362.153146591

> <PUBCHEM_MOLECULAR_FORMULA>
C24H18N4

> <PUBCHEM_MOLECULAR_WEIGHT>
362.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CNC1=NC(=NC2=C1C=C(C=C2)C3=CC=CC4=CC=CC=C43)C5=CN=CC=C5

> <PUBCHEM_OPENEYE_ISO_SMILES>
CNC1=NC(=NC2=C1C=C(C=C2)C3=CC=CC4=CC=CC=C43)C5=CN=CC=C5

> <PUBCHEM_CACTVS_TPSA>
50.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
362.153146591

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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>
1  10  8
1  20  8
10  15  8
11  17  8
11  19  8
12  15  8
14  18  8
16  21  8
17  18  8
19  22  8
2  13  8
2  20  8
21  22  8
23  25  8
23  26  8
25  27  8
27  28  8
4  26  8
4  28  8
5  14  8
5  7  8
6  12  8
6  9  8
7  11  8
7  16  8
8  10  8
8  13  8
8  9  8

$$$$