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
-5.7676 1.2830 -0.9249 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7189 2.0100 -0.7115 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3593 1.4773 -0.6747 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6219 1.9695 0.5697 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7250 0.8226 0.9149 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.6324 -0.1318 1.4261 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4783 -0.8217 0.3573 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2371 0.0064 -0.9030 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7657 -0.3244 -1.2502 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9650 0.4981 -0.2701 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4630 0.2203 -0.1376 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0131 -0.9040 0.5610 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3726 -1.9944 1.0823 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9929 -3.0420 1.7513 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3227 -2.9992 1.9078 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0096 -1.9552 1.4174 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4044 -0.9011 0.7467 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2161 0.1191 0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5848 0.1311 0.4457 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2780 1.2076 -0.0722 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6517 1.4166 -0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1853 -0.9321 1.1223 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4004 -1.9632 1.6013 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9365 0.0252 -1.4864 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6949 0.2199 -1.0913 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7651 1.7279 -0.9467 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8462 3.0809 -0.5486 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8119 1.9616 -1.5458 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2840 2.0955 1.4210 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9366 2.7921 0.3686 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2364 -0.8394 2.1832 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4177 0.4336 2.0277 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5216 -0.9352 0.6258 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9855 -1.8103 0.2012 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8747 -0.2722 -1.7402 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6612 -0.0066 -2.3080 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5790 -1.3888 -1.2084 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9914 1.5188 -0.8171 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9654 1.1660 0.1903 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6706 -2.0801 0.9624 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4027 -3.8726 2.1349 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7917 0.9553 -0.2657 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0497 1.1242 0.9829 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1177 0.8548 -0.8557 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8347 2.5019 -0.2283 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2638 -0.8973 1.2426 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8712 -2.7782 2.1206 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4199 -0.7700 -1.7839 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