-ISIS-  08091621332D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.4333    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    1.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250   -0.2292    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -2.1708    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    2.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -1.2292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8917   -1.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -2.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  7  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8 12  1  0  0  0  0
  9  4  2  0  0  0  0
 10  6  1  0  0  0  0
 11  6  1  0  0  0  0
 12 15  1  0  0  0  0
 13  8  2  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
 16  8  1  0  0  0  0
 17  5  2  0  0  0  0
 18  7  2  0  0  0  0
 19 20  2  0  0  0  0
 20 18  1  0  0  0  0
 14 12  1  0  0  0  0
  4  5  1  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <ID> (BBL000435)
BBL000435

>  <Rotatable_Bonds> (BBL000435)
2

>  <logP> (BBL000435)
0.25

>  <PSA> (BBL000435)
82

>  <H_Donors> (BBL000435)
2

>  <H_Acceptors> (BBL000435)
3

>  <Number_of_rings> (BBL000435)
3

>  <NAME> (BBL000435)
1-(4-oxo-3,4-dihydroquinazolin-2-yl)piperidine-4-carboxylic acid

>  <Mol_Weight> (BBL000435)
273.29

>  <Mol_Formula> (BBL000435)
C14H15N3O3

>  <Smiles> (BBL000435)
OC(=O)C1CCN(CC1)c1nc2ccccc2c(=O)[nH]1

>  <Alternative_identifier> (BBL000435)
MFCD11586856

$$$$