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
-6.2881 0.3161 -0.2216 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0628 -0.0742 -0.4946 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9156 0.5186 0.2209 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9497 1.2045 -0.7174 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7164 0.4448 -0.7225 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.0404 -0.8806 -1.1726 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7952 -1.6642 -0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2185 -0.6458 0.9333 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9678 -0.1405 1.6115 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1129 0.5268 0.5642 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3112 -0.0161 0.5847 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2382 0.7990 -0.2403 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7996 1.9240 -0.9034 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6618 2.6967 -1.6799 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9464 2.3406 -1.7862 N 0 0 0 0 0 0 0 0 0 0 0 0
3.3921 1.2499 -1.1490 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5690 0.4609 -0.3719 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0540 -0.6449 0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3831 -0.9548 0.1142 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8769 -2.0661 0.7524 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2355 -2.4032 0.6123 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2329 -0.1824 -0.6588 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7490 0.9165 -1.2912 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7521 0.1363 1.9144 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4740 1.0815 0.5358 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1749 -0.0759 -0.7074 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8961 -0.8252 -1.2403 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3156 1.2320 0.9774 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7661 2.2580 -0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3831 1.1450 -1.7455 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1574 -1.4850 -1.4413 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6514 -0.7855 -2.0872 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6107 -2.2365 -0.5359 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1067 -2.4156 0.3784 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9143 -1.1215 1.6588 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4781 -1.0351 2.0491 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2737 0.5709 2.4165 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1079 1.6239 0.8382 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3513 -1.0861 0.3975 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2229 2.2721 -0.8633 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3452 3.5827 -2.2101 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4307 -1.2579 0.8643 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3899 -3.4373 0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8644 -1.6609 1.1443 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5683 -2.4224 -0.4531 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2847 -0.4225 -0.7817 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4038 1.5235 -1.8949 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7602 1.1159 2.1344 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