71542891
  -OEChem-05112410462D

 42 45  0     0  0  0  0  0  0999 V2000
    2.0000    2.0294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    0.0053    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -1.4947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -2.9947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    1.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    0.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    2.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    1.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    0.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -0.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    2.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -0.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -1.4947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    1.5261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.4844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -2.4947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2901   -0.9601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -2.4947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2901   -3.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -1.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -2.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7981   -2.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038    3.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0067    1.3976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6082    2.0879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6082   -0.0774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0067    0.6129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9286    2.4802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1316    2.4802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773    2.6599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -0.6494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284    0.1724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2829   -0.3401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2829   -3.6494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7319   -1.1619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7319   -2.8276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4881   -2.4578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2611   -3.3047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1081   -3.5317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6238    3.0270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0062    3.6494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3839    3.0318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 23  1  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3 10  2  0  0  0  0
  3 18  1  0  0  0  0
  4 16  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 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  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 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 15  1  0  0  0  0
 15 32  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 17 33  1  0  0  0  0
 18 22  1  0  0  0  0
 19 21  1  0  0  0  0
 19 34  1  0  0  0  0
 20 21  2  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71542891

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
404

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx9AAAHgAAAAAADAzBnwYz9vcIFACgAyZiZACCiCkhIqAJmCA+bJiMLuLE+duENChswBPI6CewwLAOAEABAAACAAAAgAIAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-methyl-quinazoline

> <PUBCHEM_IUPAC_CAS_NAME>
4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-methylquinazoline

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-(6-methoxy-3,4-dihydro-2<I>H</I>-quinolin-1-yl)-2-methylquinazoline

> <PUBCHEM_IUPAC_NAME>
4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-methylquinazoline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-methyl-quinazoline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-methyl-quinazoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H19N3O/c1-13-20-17-8-4-3-7-16(17)19(21-13)22-11-5-6-14-12-15(23-2)9-10-18(14)22/h3-4,7-10,12H,5-6,11H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
SDVCOWGIPMODEC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.3

> <PUBCHEM_EXACT_MASS>
305.152812238

> <PUBCHEM_MOLECULAR_FORMULA>
C19H19N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
305.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=NC2=CC=CC=C2C(=N1)N3CCCC4=C3C=CC(=C4)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=NC2=CC=CC=C2C(=N1)N3CCCC4=C3C=CC(=C4)OC

> <PUBCHEM_CACTVS_TPSA>
38.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
305.152812238

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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  13  8
11  14  8
12  15  8
13  16  8
13  17  8
14  15  8
16  19  8
17  20  8
19  21  8
20  21  8
3  10  8
3  18  8
4  16  8
4  18  8
8  11  8
8  9  8
9  12  8

$$$$