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
5.7503 1.1984 1.0915 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4622 0.9194 0.9652 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9458 -0.0826 0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0994 0.5746 -1.0306 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8087 -0.0807 -1.0620 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0454 -1.4618 -1.4277 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8065 -2.2114 -0.3379 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1925 -1.2000 0.7094 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9055 -0.6796 1.3155 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1706 0.0659 0.2055 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2975 -0.2185 0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0635 0.8155 -0.4586 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4744 1.8031 -1.2063 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3038 2.7312 -1.8414 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6387 2.6663 -1.7286 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.2015 1.6829 -0.9843 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4656 0.7264 -0.3239 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0658 -0.2607 0.4354 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4560 -0.3137 0.5524 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0485 -1.3110 1.3191 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4449 -1.3665 1.4395 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1938 0.6439 -0.1099 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5934 1.6248 -0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5969 -1.5088 -0.1948 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1399 1.9293 1.7844 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4671 0.6722 0.4716 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7519 1.4487 1.5868 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8139 -0.5665 -0.5059 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9283 1.6478 -0.7658 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5905 0.5515 -2.0378 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1342 -1.9944 -1.7466 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7271 -1.4474 -2.3148 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6821 -2.7535 -0.7486 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1412 -2.9777 0.1099 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8466 -1.6314 1.4903 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1270 -0.0377 2.1887 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3112 -1.5371 1.6807 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2768 1.1587 0.4833 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5671 -0.2033 1.3466 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5975 1.8757 -1.3025 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7930 3.4891 -2.4175 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4764 -0.9882 0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9315 -1.3810 0.4275 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6959 -2.3342 1.9394 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8570 -0.5643 2.0799 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2791 0.6525 -0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1420 2.3906 -1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1359 -2.1566 0.3879 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