44460146
  -OEChem-05042407232D

 32 34  0     0  0  0  0  0  0999 V2000
    5.6021   -3.4884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2522    3.2320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7361    1.0116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1534    1.3480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3621   -2.5231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6021    0.5115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6021   -0.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4682   -0.9885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4682   -1.9884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7361   -0.9885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6316    2.0061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6021   -2.4884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534    2.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8226    0.6048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3621   -0.4538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7361   -1.9884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2467    3.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2682   -0.9676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2682   -2.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2127    0.4039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8142    1.0942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1992   -0.6785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0923    2.4209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6937   -0.0016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3549    0.1662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1992   -2.2984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8483    3.2775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2034    3.7460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8039   -0.6556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8039   -2.3213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0652   -3.7984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.7984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 31  1  0  0  0  0
  2 17  1  0  0  0  0
  2 32  1  0  0  0  0
  3  6  1  0  0  0  0
  3 11  1  0  0  0  0
  3 14  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  2  0  0  0  0
  5  9  1  0  0  0  0
  5 19  2  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9 12  2  0  0  0  0
 10 16  2  0  0  0  0
 10 22  1  0  0  0  0
 11 13  2  0  0  0  0
 11 23  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 24  1  0  0  0  0
 15 18  2  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
 18 19  1  0  0  0  0
 18 29  1  0  0  0  0
 19 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
44460146

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
302

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAACx/AAAHgAACAAADAzhngY91vcMEgCgAzRnZASCgC0xcqAJ2CA/fJiKfuLSmZOUcAhuwBPY2CeQ0LIOoAABQAASEABAAAKAACQgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-[[4-(hydroxymethyl)imidazol-1-yl]methyl]quinolin-8-ol

> <PUBCHEM_IUPAC_CAS_NAME>
5-[[4-(hydroxymethyl)-1-imidazolyl]methyl]-8-quinolinol

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-[[4-(hydroxymethyl)imidazol-1-yl]methyl]quinolin-8-ol

> <PUBCHEM_IUPAC_NAME>
5-[[4-(hydroxymethyl)imidazol-1-yl]methyl]quinolin-8-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-[[4-(hydroxymethyl)imidazol-1-yl]methyl]quinolin-8-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-[(4-methylolimidazol-1-yl)methyl]quinolin-8-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H13N3O2/c18-8-11-7-17(9-16-11)6-10-3-4-13(19)14-12(10)2-1-5-15-14/h1-5,7,9,18-19H,6,8H2

> <PUBCHEM_IUPAC_INCHIKEY>
IDMVKUFXAQOMCG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.7

> <PUBCHEM_EXACT_MASS>
255.100776666

> <PUBCHEM_MOLECULAR_FORMULA>
C14H13N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
255.27

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC2=C(C=CC(=C2N=C1)O)CN3C=C(N=C3)CO

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC2=C(C=CC(=C2N=C1)O)CN3C=C(N=C3)CO

> <PUBCHEM_CACTVS_TPSA>
71.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
255.100776666

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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  16  8
11  13  8
12  16  8
15  18  8
18  19  8
3  11  8
3  14  8
4  13  8
4  14  8
5  19  8
5  9  8
7  10  8
7  8  8
8  15  8
8  9  8
9  12  8

$$$$