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
6.0430 -0.0559 -0.8097 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0511 -0.2635 0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6545 -0.1502 -0.3786 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8525 -1.4018 -0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5274 -1.2739 0.1221 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8815 -1.1516 1.5785 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4581 0.2233 1.7560 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8802 0.8868 0.4521 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6440 1.1591 -0.3980 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8261 -0.1305 -0.1943 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3490 -0.1063 -1.1149 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4165 -1.0268 -0.7209 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3645 -2.3808 -0.7971 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4475 -3.2397 -0.5213 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5835 -2.6251 -0.1591 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.6724 -1.2760 -0.0658 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6303 -0.4382 -0.3325 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6770 0.9110 -0.1194 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8588 1.4913 0.4085 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8130 2.8241 0.5971 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6657 3.7259 1.1016 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9000 0.6569 0.6731 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8515 -0.7088 0.4536 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1239 -0.6355 -2.3893 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8106 0.1990 -1.8254 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0692 -0.1611 -0.4554 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2912 -0.5176 1.0821 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6624 0.2922 -1.4353 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3607 -2.1705 0.1309 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8019 -1.7824 -1.5056 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5557 -1.9749 1.8563 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9034 -1.2606 2.1017 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7309 0.9316 2.2218 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3802 0.2366 2.4128 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4720 1.7636 0.6498 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9446 1.1803 -1.4543 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0909 2.0606 -0.0763 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3115 0.1678 0.8592 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6487 0.9000 -1.4067 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4414 -2.9088 -1.1037 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3313 -4.3049 -0.5915 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8417 1.5480 -0.3183 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5511 3.8226 2.2380 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4209 4.7798 0.7098 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7463 3.5971 0.9725 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8287 1.0773 1.0961 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7113 -1.3407 0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5762 -1.1487 -2.8268 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