44246520
  -OEChem-05102418182D

 36 38  0     1  0  0  0  0  0999 V2000
    2.6691    2.1470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -3.4462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    1.0538    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    7.0747   -2.4809    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    0.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -0.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    2.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -1.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    0.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    2.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -2.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0747   -0.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -1.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782    3.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9808   -0.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9808   -1.9670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    3.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9253    0.4461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5268    1.1364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0593    1.9461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6608    2.6364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9118   -0.6362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2727    1.0907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0457    0.2438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8927    0.0168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0675    0.2084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9118   -2.2562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9389    3.9632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5165   -0.6133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5165   -2.2791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478    4.3226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    2.8254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7778   -3.7562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 20  1  0  0  0  0
  2 13  1  0  0  0  0
  2 36  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  4  9  1  0  0  0  0
  4 18  2  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7 12  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 13  2  0  0  0  0
 10 15  2  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 16  2  0  0  0  0
 13 15  1  0  0  0  0
 14 17  2  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 19  1  0  0  0  0
 16 31  1  0  0  0  0
 17 18  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 20  2  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
44246520

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
313

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAASAAAAA8QAAAAAAAAACx/AAAHgAACAAADAzhngY+xvMIFkCoA7x3xASCiCA1YiAI2CG/bNgOJvLWtbuHeSjkwBHY+YeY0bIOoAABQAASEABAAAKAACQgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-[[2-furylmethyl(methyl)amino]methyl]quinolin-8-ol

> <PUBCHEM_IUPAC_CAS_NAME>
5-[[2-furanylmethyl(methyl)amino]methyl]-8-quinolinol

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-[[furan-2-ylmethyl(methyl)amino]methyl]quinolin-8-ol

> <PUBCHEM_IUPAC_NAME>
5-[[furan-2-ylmethyl(methyl)amino]methyl]quinolin-8-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-[[furan-2-ylmethyl(methyl)amino]methyl]quinolin-8-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-[[2-furfuryl(methyl)amino]methyl]quinolin-8-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H16N2O2/c1-18(11-13-4-3-9-20-13)10-12-6-7-15(19)16-14(12)5-2-8-17-16/h2-9,19H,10-11H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
YNZLXDIXGHKZTO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.3

> <PUBCHEM_EXACT_MASS>
268.121177757

> <PUBCHEM_MOLECULAR_FORMULA>
C16H16N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
268.31

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(CC1=C2C=CC=NC2=C(C=C1)O)CC3=CC=CO3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(CC1=C2C=CC=NC2=C(C=C1)O)CC3=CC=CO3

> <PUBCHEM_CACTVS_TPSA>
49.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
268.121177757

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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  12  8
1  20  8
10  15  8
12  16  8
13  15  8
14  17  8
16  19  8
17  18  8
19  20  8
4  18  8
4  9  8
6  10  8
6  8  8
8  14  8
8  9  8
9  13  8

$$$$