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
    5.9810   -0.1776    1.1125 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9874    0.3643    0.4644 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6095   -0.1224    0.7073 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9503   -0.6624   -0.5358 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8446    0.0960   -0.9714 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3615    1.4644   -1.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6323    2.0943    0.1666 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7158    0.9859    1.2001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3232    0.3470    1.3127 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7150    0.1810   -0.0511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2790   -0.7180   -0.3974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2430   -1.6747   -0.0638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1594   -3.0279   -0.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2816   -3.8241    0.0636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4943   -3.2928    0.1698 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6868   -2.0001    0.1745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5675   -1.1625    0.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6890    0.1935    0.0938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9484    0.7819    0.2702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9238    2.1740    0.3013 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0463    2.9830    0.4533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0243   -0.0211    0.3865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9181   -1.3999    0.3391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5969   -0.4255   -1.7977 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0112    0.1525    0.9577 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8319   -0.9645    1.8508 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1164    1.1590   -0.2285 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6041   -0.9255    1.4837 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7109   -0.5751   -1.3614 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7783   -1.7542   -0.4582 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2294    1.3740   -1.8141 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5015    2.0480   -1.6401 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5584    2.6938    0.1821 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8314    2.8127    0.4662 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9883    1.3560    2.1802 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7406    1.1360    1.8854 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3306   -0.5456    1.8919 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4108    1.3090   -0.3735 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6031   -1.6037   -0.7087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1910   -3.5328   -0.1184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1959   -4.9084    0.0241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8209    0.8071   -0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7251    2.5259    1.1877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7596    4.0348    0.6665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6314    3.0176   -0.5127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0004    0.4610    0.5380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8373   -1.9960    0.4268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3473   -1.2379   -2.3260 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