71542989
  -OEChem-05132420462D

 49 52  0     1  0  0  0  0  0999 V2000
    6.3981    2.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680    1.2915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.7327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -2.2327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -3.7327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.2673    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2641    0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381    1.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -3.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1580   -1.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -3.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    3.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1580   -3.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0641   -2.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0641   -3.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -3.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    1.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8747    0.6597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4762    1.3499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4762   -0.8153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8747   -0.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    1.9220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -1.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1963   -0.5656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4762    2.1847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8747    2.8750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1509   -1.0780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8841    3.7673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    4.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6441    3.7673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1509   -4.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5998   -1.8998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5998   -3.5656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3560   -3.1957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291   -4.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9760   -4.2696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921    1.3330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    0.4869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079    0.2567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 17  1  0  0  0  0
  2 15  1  0  0  0  0
  2 26  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 11  2  0  0  0  0
  4 20  1  0  0  0  0
  5 18  1  0  0  0  0
  5 20  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  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 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 32  1  0  0  0  0
 13 16  2  0  0  0  0
 13 33  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  1  0  0  0  0
 16 34  1  0  0  0  0
 17 21  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 19 37  1  0  0  0  0
 20 25  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 24  1  0  0  0  0
 22 41  1  0  0  0  0
 23 24  2  0  0  0  0
 23 42  1  0  0  0  0
 24 43  1  0  0  0  0
 25 44  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
 26 49  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71542989

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
463

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx9AAAHgAAAAAADBzhnwYz9vcIFACgAyZiZACCiCkhIqAJmCA+bJiMLuLE+duGNChuwBPI6CfwwLAOAEABAAACAAAAgAIAAAQAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H23N3O2/c1-4-26-20-11-12-24(19-10-9-15(25-3)13-17(19)20)21-16-7-5-6-8-18(16)22-14(2)23-21/h5-10,13,20H,4,11-12H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
QONBBKBZAZZZEV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.1

> <PUBCHEM_EXACT_MASS>
349.17902698

> <PUBCHEM_MOLECULAR_FORMULA>
C21H23N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
349.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC1CCN(C2=C1C=C(C=C2)OC)C3=NC(=NC4=CC=CC=C43)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC1CCN(C2=C1C=C(C=C2)OC)C3=NC(=NC4=CC=CC=C43)C

> <PUBCHEM_CACTVS_TPSA>
47.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
349.17902698

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
6  1  3
10  13  8
11  14  8
12  15  8
13  16  8
14  18  8
14  19  8
15  16  8
18  22  8
19  23  8
22  24  8
23  24  8
4  11  8
4  20  8
5  18  8
5  20  8
9  10  8
9  12  8

$$$$