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
-5.5115 -1.3990 -0.0418 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3262 -1.6171 -0.5566 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1257 -0.9548 -0.0626 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3632 -0.1835 -1.1248 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7543 0.9953 -0.6249 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8180 1.9943 -0.4244 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8461 1.3200 0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3312 0.0443 1.0515 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9339 0.2269 1.6478 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0746 0.9114 0.6330 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2917 0.2770 0.5423 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2774 0.9877 -0.2489 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9923 2.1472 -0.9381 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9911 2.7525 -1.6698 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2273 2.2116 -1.7054 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5354 1.0820 -1.0432 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5662 0.4427 -0.2982 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9399 -0.6971 0.3549 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2219 -1.2005 0.2839 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5900 -2.3612 0.9528 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8959 -2.8792 0.8845 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2022 -0.5593 -0.4666 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8343 0.5909 -1.1282 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1232 -1.0045 0.0278 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4316 -1.8948 -0.4089 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6723 -0.7366 0.7788 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3061 -2.3365 -1.3888 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4674 -1.7897 0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1115 0.1064 -1.8907 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6801 -0.8984 -1.6113 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3267 2.8334 0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2056 2.3622 -1.3782 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6899 1.0685 -0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2910 2.0009 1.1897 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0280 -0.3368 1.8315 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0084 0.8345 2.5866 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5382 -0.7883 1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9631 1.9808 1.0417 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6872 0.1206 1.5802 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0081 2.5352 -0.8711 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7248 3.6619 -2.1967 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2273 -1.2355 0.9541 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2266 -3.0771 -0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6448 -2.1863 1.3661 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8995 -3.8159 1.5104 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2120 -0.9383 -0.5347 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6075 1.0811 -1.7096 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1059 -1.6793 0.6930 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