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