Monomers

Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-

Identifiers

IUPAC name
(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol
InchI
InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3
InchI Key
LOUPRKONTZGTKE-UHFFFAOYSA-N
SMILES
C=CC1CN2CCC1CC2C(c1ccnc2c1cc(OC)cc2)O
Canonical SMILES
COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O
Isomeric SMILES
COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C20H24N2O2
Heavy Atom Count
24
Molecular Weight
324.424
Exact Molecular Weight
324.1838
Valence Electrons
126
Radical Electrons
0
tPSA
45.59
MolLogP
3.1732
H Bond Acceptors
4
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
3
Aromatic Heterocycles
1
Aliphatic Rings
3
Aromatic Rings
2

MOL File


     RDKit          3D

 48 51  0  0  0  0  0  0  0  0999 V2000
   -3.9310    0.7595   -2.6963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6646   -0.4399   -2.2436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4633   -0.7665   -0.8090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1118   -1.3902   -0.5260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6480   -0.9804    0.8105 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7619   -1.2239    1.7002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7773   -0.1179    1.5133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5944    0.4386    0.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3046    1.2007    0.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2678    0.3900    0.8456 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1107    0.6425    0.2698 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1260   -0.0865    1.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8314   -0.7219    2.2302 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8770   -1.3787    2.8809 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1173   -1.3894    2.3703 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3932   -0.7570    1.1974 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4152   -0.0886    0.4983 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7016    0.5549   -0.6938 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9773    0.5526   -1.2298 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2864    1.1892   -2.4202 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6205    1.1274   -2.8825 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9409   -0.1225   -0.5140 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6671   -0.7636    0.6691 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3571    2.0237    0.3374 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0632    0.9073   -3.7624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0317    1.6406   -2.0595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5800   -1.2658   -2.9385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2593   -1.4861   -0.4545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2446   -2.4901   -0.4709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3787   -1.0940   -1.3081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2940   -2.1757    1.4012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4861   -1.2791    2.7624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7998   -0.5038    1.5627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6556    0.6871    2.2698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4767    1.0591   -0.1567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9189    1.2862   -0.9889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583    2.2076    0.4934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3053    0.7697    1.8638 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0878    0.3660   -0.7953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1624   -0.7102    2.6511 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6189   -1.8661    3.8046 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9217    1.0627   -1.2029 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3248    1.5726   -2.1489 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9362    0.0607   -3.0138 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7322    1.5912   -3.8886 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9580   -0.1278   -0.9361 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4568   -1.2711    1.1790 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0811    2.4069    1.1985 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 19 22  1  0
 22 23  2  0
 11 24  1  0
  8  3  1  0
 17 12  1  0
 10  5  1  0
 23 16  1  0
  1 25  1  0
  1 26  1  0
  2 27  1  0
  3 28  1  0
  4 29  1  0
  4 30  1  0
  6 31  1  0
  6 32  1  0
  7 33  1  0
  7 34  1  0
  8 35  1  0
  9 36  1  0
  9 37  1  0
 10 38  1  0
 11 39  1  0
 13 40  1  0
 14 41  1  0
 18 42  1  0
 21 43  1  0
 21 44  1  0
 21 45  1  0
 22 46  1  0
 23 47  1  0
 24 48  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers