Mrv0541 02241218512D          

 16 18  0  0  0  0            999 V2000
    1.6994   -1.2949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8904   -1.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3232   -1.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4851   -1.2949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0516   -1.8613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8613   -1.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0233   -0.8091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3755   -0.2433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6470   -0.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0007   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7285   -0.2433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0233    0.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    0.4045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0007    0.8091    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7285    1.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9710    1.8613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB000901

> <DATABASE_NAME>
foodb

> <SMILES>
CN1C(N)=NC2=C1C(C)=CC1=C2C=CC=N1

> <INCHI_IDENTIFIER>
InChI=1S/C12H12N4/c1-7-6-9-8(4-3-5-14-9)10-11(7)16(2)12(13)15-10/h3-6H,1-2H3,(H2,13,15)

> <INCHI_KEY>
GMGWMIJIGUYNAY-UHFFFAOYSA-N

> <FORMULA>
C12H12N4

> <MOLECULAR_WEIGHT>
212.2505

> <EXACT_MASS>
212.106196404

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
23.290720789025016

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3,4-dimethyl-3H-imidazo[4,5-f]quinolin-2-amine

> <ALOGPS_LOGP>
1.75

> <JCHEM_LOGP>
2.009580160333333

> <ALOGPS_LOGS>
-2.74

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
7.975540802278499

> <JCHEM_POLAR_SURFACE_AREA>
56.730000000000004

> <JCHEM_REFRACTIVITY>
63.0014

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.86e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,4-dimethylimidazo[4,5-f]quinolin-2-amine

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB000901

> <GENERIC_NAME>
2-Amino-3,4-dimethylimidazo[4,5-f]quinoline

$$$$