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
   -4.0369    0.0611    2.6390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4218    0.3295    1.3937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4803    0.6549    0.3006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0820    0.9791    0.7603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2322    0.7539   -0.3674 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7593    1.3140   -1.5892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0525    0.6763   -2.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4873   -0.2346   -0.8957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3667   -1.2756   -0.9305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0981   -0.7163   -0.4602 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2258   -1.0506   -1.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003   -1.5185   -0.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0371   -2.7401    0.6441 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9854   -3.2949    1.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1317   -2.6786    1.6883 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3498   -1.4859    1.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4175   -0.9065    0.2533 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5822    0.3634   -0.2667 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7327    1.0973    0.0642 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8032    2.3690   -0.4882 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099    3.3026   -0.3114 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6771    0.5388    0.8831 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4904   -0.7375    1.3848 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6368   -0.5170   -2.1848 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7208   -0.1772    3.4512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9944    0.0591    2.9758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4891    0.3001    1.2108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8482    1.6845   -0.0769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7363    0.2999    1.5676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0024    2.0304    1.1399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0646    2.3711   -1.3122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0169    1.4151   -2.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8231    0.0001   -2.9264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8585    1.4046   -2.2690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4370   -0.7505   -1.0872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6872   -2.2091   -0.4144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2841   -1.5853   -2.0122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0331   -0.9989    0.6723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0584   -2.1538   -1.4893 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1219   -3.3043    0.5254 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8297   -4.2688    1.9438 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8383    0.7639   -0.9054 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8452    3.5918    0.7804 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8186    2.9248   -0.6082 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5285    4.2117   -0.8905 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5691    1.1311    1.1218 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2456   -1.2021    2.0325 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1941   -0.8223   -3.0232 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