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
-5.3803 1.1168 1.3231 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0760 1.0720 1.1069 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5521 0.1343 0.0812 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5688 -0.8361 0.6394 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7539 -1.3758 -0.4854 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.6965 -1.4884 -1.6303 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9310 -0.1051 -2.2068 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7937 0.8702 -1.0385 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3149 0.9381 -0.6425 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7666 -0.4776 -0.8867 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6702 -0.6390 -0.6865 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2305 -0.9670 0.6233 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5551 -1.7531 1.5234 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1801 -2.0896 2.7203 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4129 -1.6814 3.0306 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0886 -0.9022 2.1342 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5251 -0.5348 0.9367 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2718 0.2766 0.0744 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5394 0.7144 0.3876 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3207 1.5092 -0.4150 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8983 1.9637 -1.6822 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1060 0.3390 1.6048 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3698 -0.4580 2.4446 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0914 -1.8003 -1.4954 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0691 0.4930 0.7794 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8128 1.7787 2.0647 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4445 1.7349 1.6915 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4042 -0.4345 -0.3377 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0840 -1.6593 1.1458 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8857 -0.3282 1.3839 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1915 -2.0622 -2.4306 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6097 -2.0208 -1.3482 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3493 0.1511 -3.0805 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0270 -0.0487 -2.4650 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2222 1.8429 -1.2699 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1427 1.2705 0.3783 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8024 1.6438 -1.3484 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8133 -0.4761 -2.0907 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1889 0.1945 -1.1434 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4357 -2.1638 1.3249 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5958 -2.7222 3.4069 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8889 0.5887 -0.8757 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0610 1.1481 -2.4419 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4633 2.8814 -1.9648 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7890 2.1702 -1.7264 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0936 0.6413 1.9252 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7599 -0.7800 3.3872 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0277 -1.4565 -2.4259 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