71180669
  -OEChem-04232403492D

 46 50  0     0  0  0  0  0  0999 V2000
    9.0622    1.0345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9283   -0.4655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0622   -1.9655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5263    1.0345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3962   -0.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3023   -1.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8001   -0.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6642   -0.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3962    0.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8039   -1.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0622   -0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3023    1.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5360   -1.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6719   -2.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9283    0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9041   -0.4652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9121   -2.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7943    1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0040   -2.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9283   -2.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7943    2.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6603    0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6603    2.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5263    2.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3094   -1.6202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6618    0.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8605    0.8673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3094    1.6891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0741   -2.2976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6743   -3.1130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9089    0.1548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9216   -3.1544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5253   -2.2755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.6725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4695   -2.3382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6183   -3.0025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4652   -2.7755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2383   -1.9286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2574    2.3445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6603   -0.0855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6603    3.1545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0633    2.3445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 18  2  0  0  0  0
  2 14  2  0  0  0  0
  2 18  1  0  0  0  0
  3 14  1  0  0  0  0
  3 24  1  0  0  0  0
  3 37  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  8  2  0  0  0  0
  5 12  1  0  0  0  0
  6 11  2  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 14  1  0  0  0  0
  8 29  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 19  2  0  0  0  0
 11 30  1  0  0  0  0
 12 15  2  0  0  0  0
 12 31  1  0  0  0  0
 13 17  1  0  0  0  0
 13 20  2  0  0  0  0
 15 32  1  0  0  0  0
 16 17  2  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 35  1  0  0  0  0
 20 23  1  0  0  0  0
 20 36  1  0  0  0  0
 21 25  1  0  0  0  0
 21 26  2  0  0  0  0
 22 23  2  0  0  0  0
 22 38  1  0  0  0  0
 23 39  1  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>
71180669

> <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/8PbIEACgAzZnZACCgCkxAqAJ2KA4ZJiIKOLA2dGEJAhogALIyCcQgMAOyAACAAASAACQAAQAACQAAAAAAAAAAA==

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

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHIKEY>
SZHXZUZNIWDWQX-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=CC4=CC=CC=C4C=C3)C5=CN=CC=C5

> <PUBCHEM_OPENEYE_ISO_SMILES>
CNC1=NC(=NC2=C1C=C(C=C2)C3=CC4=CC=CC=C4C=C3)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  18  8
1  9  8
10  11  8
10  13  8
10  19  8
12  15  8
13  17  8
13  20  8
16  17  8
19  22  8
2  14  8
2  18  8
20  23  8
21  25  8
21  26  8
22  23  8
25  27  8
27  28  8
4  26  8
4  28  8
5  12  8
5  8  8
6  11  8
6  16  8
7  14  8
7  8  8
7  9  8
9  15  8

$$$$