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
5.7062 -1.3451 -0.9701 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4456 -1.0002 -0.8514 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8686 -0.1378 0.2073 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6972 -0.8865 0.8565 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5731 -0.0254 1.0863 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1778 1.1752 1.7774 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8987 2.0085 0.7373 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2888 1.0899 -0.4177 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9945 0.7187 -1.1119 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9291 0.5250 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2817 -0.0435 -0.6012 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1220 -1.0546 -0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7508 -2.3544 0.3065 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6959 -3.3050 0.6268 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9954 -3.0228 0.6472 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4320 -1.7788 0.3583 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4908 -0.8306 0.0425 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9073 0.4904 -0.1247 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2594 0.8185 0.0228 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5586 2.1595 -0.1697 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8801 2.5928 -0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1426 -0.1719 0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7676 -1.5062 0.5082 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7944 0.6924 -1.6745 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4984 -1.0433 -0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9924 -1.9751 -1.8054 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7302 -1.3831 -1.5935 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6229 0.0818 0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0266 -1.2365 1.8816 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4285 -1.7036 0.1969 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8275 0.7735 2.5504 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3741 1.8102 2.2011 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2923 2.8179 0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8106 2.4999 1.1589 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9651 1.5999 -1.1152 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1384 -0.2285 -1.6405 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6703 1.4787 -1.8518 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7211 1.6387 0.2497 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3151 -0.8565 -1.3926 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2690 -2.6154 0.2975 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4080 -4.3104 0.8566 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1984 1.2374 -0.3352 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5922 2.0358 -0.6807 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2087 2.2933 1.0215 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0059 3.6857 -0.0663 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1649 0.0866 0.4365 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4514 -2.2862 0.7509 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1539 0.7910 -2.4356 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