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
    5.0281    2.2600   -0.8240 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3673    1.8667    0.2198 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1047    1.1147    0.2914 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    0.8110   -0.9854 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6125   -0.4542   -0.7892 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828   -1.4906   -0.9267 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7278   -1.2676    0.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3150   -0.1987    1.0264 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9516   -0.5904    1.5879 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9691   -0.2785    0.4392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3853   -0.7332    0.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2842   -1.3663   -0.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1338   -2.5752   -0.8402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1423   -3.2039   -1.5523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3238   -2.6311   -1.6536 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5739   -1.4505   -1.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5752   -0.7965   -0.3577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7754    0.4517    0.1238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0017    1.1014   -0.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0920    2.3470    0.4151 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0534    3.3012    0.4224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9754    0.4425   -0.8053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7815   -0.8364   -1.3070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000   -0.3309    1.9627 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9288    2.7967   -0.7897 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6094    2.0145   -1.8234 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8069    2.1254    1.1965 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4614    1.7205    1.0146 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1533    0.6417   -1.7814 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7218    1.6430   -1.2439 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0143   -1.3770   -1.9485 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2036   -2.5047   -0.8417 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6458   -0.9296   -0.4826 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9256   -2.1992    0.6315 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0230   -0.1330    1.8642 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8820   -1.6576    1.8334 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7552    0.0386    2.4566 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8840    0.8876    0.5615 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0082   -1.8497    1.2466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1379   -3.0489   -0.7598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9441   -4.1562   -1.9970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9966    0.9444    0.6539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7606    3.1654    1.2752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6260    3.4008   -0.5445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5432    4.2947    0.6263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9338    0.9627   -0.9928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5910   -1.2924   -1.8523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5678   -0.9797    2.2238 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