53299589
  -OEChem-06191319162D

 53 56  0     1  0  0  0  0  0999 V2000
    4.6660    1.2553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7942    0.7311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7942    2.7794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.2447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    2.7553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    2.7553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.7447    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6660   -1.7447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -3.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -2.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -3.7447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -3.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -3.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0241    0.7206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0241    2.7899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9301    1.2344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9301    2.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7904   -0.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7904    3.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.1247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -0.5547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1100    0.2922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2631    0.0653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4900   -0.7817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -1.9347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -1.0901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -4.3647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -3.5547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.1353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -4.3994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.9119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -3.5776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0169    0.1006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0169    3.4099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    3.3753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951    2.4453    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1704   -0.2665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7880   -0.8889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4104   -0.2713    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4104    3.7818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7880    4.3994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1704    3.7770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 27  1  0  0  0  0
  2 29  1  0  0  0  0
  3 28  1  0  0  0  0
  3 30  1  0  0  0  0
  4  7  1  0  0  0  0
  4 13  1  0  0  0  0
  4 32  1  0  0  0  0
  5 21  2  0  0  0  0
  5 22  1  0  0  0  0
  6 22  1  0  0  0  0
  6 46  1  0  0  0  0
  6 47  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  2  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 16  1  0  0  0  0
 10 19  2  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 17  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 14 20  1  0  0  0  0
 14 22  2  0  0  0  0
 15 23  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  2  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 25  1  0  0  0  0
 19 24  1  0  0  0  0
 19 41  1  0  0  0  0
 20 40  1  0  0  0  0
 21 26  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 27  2  0  0  0  0
 25 44  1  0  0  0  0
 26 28  2  0  0  0  0
 26 45  1  0  0  0  0
 27 28  1  0  0  0  0
 29 48  1  0  0  0  0
 29 49  1  0  0  0  0
 29 50  1  0  0  0  0
 30 51  1  0  0  0  0
 30 52  1  0  0  0  0
 30 53  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53299589

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
588

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAADx9AAAHgAQAAAADCzBngYz9vLIFACoAydydACCiCklIiAImKE+7NiNJvrE9ZuEMapm1hvK6ee42fOeoEADAgASQABAgAYEACSAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-amino-6,7-dimethoxy-N-[1-(1-naphthyl)ethyl]quinoline-3-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-amino-6,7-dimethoxy-N-[1-(1-naphthalenyl)ethyl]-3-quinolinecarboxamide

> <PUBCHEM_IUPAC_NAME>
2-amino-6,7-dimethoxy-N-(1-naphthalen-1-ylethyl)quinoline-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-azanyl-6,7-dimethoxy-N-(1-naphthalen-1-ylethyl)quinoline-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-amino-6,7-dimethoxy-N-[1-(1-naphthyl)ethyl]quinoline-3-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H23N3O3/c1-14(17-10-6-8-15-7-4-5-9-18(15)17)26-24(28)19-11-16-12-21(29-2)22(30-3)13-20(16)27-23(19)25/h4-14H,1-3H3,(H2,25,27)(H,26,28)

> <PUBCHEM_IUPAC_INCHIKEY>
SMRGDRXOPYCHTR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.8

> <PUBCHEM_EXACT_MASS>
401.173942

> <PUBCHEM_MOLECULAR_FORMULA>
C24H23N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
401.45772

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3=C(N=C4C=C(C(=CC4=C3)OC)OC)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3=C(N=C4C=C(C(=CC4=C3)OC)OC)N

> <PUBCHEM_CACTVS_TPSA>
86.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
401.173942

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <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>
7

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  16  8
10  19  8
12  17  8
14  20  8
14  22  8
15  23  8
16  17  8
18  20  8
18  21  8
18  25  8
19  24  8
21  26  8
23  24  8
25  27  8
26  28  8
27  28  8
5  21  8
5  22  8
7  11  3
8  12  8
8  9  8
9  10  8
9  15  8

$$$$