70219365
  -OEChem-04252423092D

 53 56  0     1  0  0  0  0  0999 V2000
   13.3263   -2.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8000    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    0.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3947    1.4576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
70219365

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
446

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7oAAAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx9AAAHgAQAAAADAzBngYz9vPIFACgAyZiZACCiCkhIiAJmKA+bJiMZuLEuZuUMChs0BPI6CewwIAOAEAAAAACAAAAgAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]quinolin-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
N-[1-[4-(4-methoxyphenyl)-1-piperazinyl]ethyl]-2-quinolinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]quinolin-2-amine

> <PUBCHEM_IUPAC_NAME>
N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]quinolin-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]quinolin-2-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[4-(4-methoxyphenyl)piperazino]ethyl-(2-quinolyl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H26N4O/c1-17(23-22-12-7-18-5-3-4-6-21(18)24-22)25-13-15-26(16-14-25)19-8-10-20(27-2)11-9-19/h3-12,17H,13-16H2,1-2H3,(H,23,24)

> <PUBCHEM_IUPAC_INCHIKEY>
PDBSDIMJXDULNS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.6

> <PUBCHEM_EXACT_MASS>
362.21066147

> <PUBCHEM_MOLECULAR_FORMULA>
C22H26N4O

> <PUBCHEM_MOLECULAR_WEIGHT>
362.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(NC1=NC2=CC=CC=C2C=C1)N3CCN(CC3)C4=CC=C(C=C4)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(NC1=NC2=CC=CC=C2C=C1)N3CCN(CC3)C4=CC=C(C=C4)OC

> <PUBCHEM_CACTVS_TPSA>
40.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
362.21066147

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <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>
10  12  3
11  13  8
11  14  8
13  16  8
14  17  8
15  18  8
16  19  8
17  19  8
18  22  8
20  21  8
20  23  8
21  22  8
21  24  8
23  25  8
24  26  8
25  26  8
5  15  8
5  20  8

$$$$