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
-4.9937 2.2983 0.5196 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8619 1.6209 0.4366 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7902 0.2774 -0.1707 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8676 0.2469 -1.3727 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8981 -0.7940 -1.3285 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7699 -2.0240 -1.3266 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3535 -2.1139 0.0604 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3027 -0.7963 0.7708 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8198 -0.4756 1.0268 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0713 -0.9567 -0.1984 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3671 -0.7036 -0.2405 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9621 0.6057 -0.1765 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3457 1.8134 -0.3128 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0326 2.9997 -0.2503 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3433 3.0436 -0.0521 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0109 1.8910 0.0908 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3608 0.6744 0.0349 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1211 -0.4652 0.2015 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4937 -0.3771 0.4161 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1890 -1.5540 0.5732 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5857 -1.5329 0.7942 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1113 0.8531 0.4654 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3910 2.0078 0.3054 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9898 -1.5330 -1.2392 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0849 3.2694 0.9504 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8978 1.8169 0.1136 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9769 2.1065 0.8409 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8474 -0.0168 -0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5746 -0.0687 -2.2293 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5499 1.2373 -1.6739 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5757 -1.9009 -2.0638 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1082 -2.8859 -1.5117 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8514 -2.9062 0.6839 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4384 -2.4055 0.0284 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8510 -0.7873 1.7202 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6877 0.5830 1.2206 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4967 -1.0709 1.9304 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0991 -2.1359 0.0051 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7662 -1.2463 0.7029 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7338 1.8299 -0.4747 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4944 3.9418 -0.3657 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6351 -1.4147 0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0440 -2.5325 0.6247 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1022 -0.8469 0.0739 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7843 -1.2037 1.8345 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1907 0.9144 0.6344 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8492 2.9713 0.3406 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3323 -2.2540 -1.4740 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