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
-5.7270 -0.1746 -0.6548 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8832 0.6833 -0.8743 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4162 0.4026 -0.6678 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0938 -0.9026 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7650 -0.8634 0.6373 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1026 -0.2904 1.9719 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9900 0.8718 1.7162 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8635 1.4541 0.3183 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3789 1.5091 -0.0716 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9055 0.0884 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0908 -0.3316 -0.9904 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0576 -1.3321 -0.3951 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7297 -2.6462 -0.1584 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7301 -3.5518 0.1636 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0071 -3.1536 0.2490 N 0 0 0 0 0 0 0 0 0 0 0 0
3.3975 -1.8784 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4049 -0.9778 -0.2835 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7810 0.3267 -0.3929 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1121 0.7534 -0.1995 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3294 2.0841 -0.3446 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4275 2.8883 -0.2298 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0861 -0.1530 0.1108 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7191 -1.4900 0.2305 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7305 0.6204 -1.7041 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7279 -0.5110 -0.6098 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1557 -1.2364 -0.3597 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0863 1.6975 -1.2468 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8832 0.5693 -1.6224 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1765 -1.7173 -0.7559 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7853 -1.0811 0.8176 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1296 0.0993 2.3240 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5152 -1.0585 2.6141 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7571 1.7181 2.4317 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0389 0.5649 1.9132 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3631 2.4155 0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8722 2.2262 0.5694 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3499 1.8470 -1.1281 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1367 0.2261 0.9839 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4802 -0.9849 -1.7393 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3034 -2.9372 -0.2264 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4291 -4.5729 0.3286 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0733 1.1209 -0.5835 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4699 3.3723 0.7991 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4208 2.4239 -0.3421 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3423 3.7192 -0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1193 0.1658 0.2651 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4812 -2.2042 0.4716 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9477 0.2007 -2.6059 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