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
-4.0744 1.8918 1.4876 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4638 0.7553 0.9525 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9194 0.1263 -0.2543 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7422 0.8558 -0.8627 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9874 -0.0760 -1.6517 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8896 -1.0720 -2.2659 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3639 -2.0334 -1.1858 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3794 -1.2424 0.1178 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8969 -1.0244 0.4978 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1124 -0.8709 -0.7704 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1958 -0.1563 -0.6499 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2868 -0.9028 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1576 -2.2177 0.3402 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1937 -2.8982 0.9425 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3548 -2.3090 1.1911 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5359 -1.0238 0.8524 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5074 -0.2964 0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7518 1.0017 -0.0977 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9919 1.5588 0.1764 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2104 2.8739 -0.1735 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4568 3.4636 0.0924 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9994 0.8459 0.7804 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7750 -0.4755 1.1294 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0315 1.0590 -0.0083 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2889 2.5314 1.1097 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5585 2.2573 2.3899 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2834 0.1886 1.4356 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6987 0.0420 -1.0606 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1878 1.3237 -0.0557 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0958 1.6669 -1.5569 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6981 -0.4942 -2.7338 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2712 -1.6112 -3.0084 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4269 -2.3457 -1.3576 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7267 -2.9281 -1.1217 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9308 -1.7320 0.9149 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6129 -1.9162 1.0827 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7859 -0.1630 1.1992 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9599 -1.8843 -1.2102 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5240 0.1968 -1.7019 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2585 -2.7472 0.1466 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0682 -3.9300 1.2209 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9825 1.5861 -0.5911 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2646 2.8041 -0.2873 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5801 3.6086 1.1923 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5419 4.4771 -0.3986 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9834 1.2597 1.0084 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5509 -1.0433 1.6002 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2149 1.0196 0.9298 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