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
4.6845 -1.6500 -1.1609 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7864 -0.3776 -0.9216 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0361 0.3588 0.0926 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1497 -0.4285 0.9973 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7446 0.0127 0.9137 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7007 1.3685 1.3863 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6564 2.2707 0.6366 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1888 1.4626 -0.5356 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0016 0.9328 -1.2910 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3433 -0.1461 -0.4552 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1659 0.0658 -0.6196 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9575 -0.8997 0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3911 -1.9818 0.7153 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1887 -2.8844 1.3858 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5161 -2.7568 1.4604 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.0994 -1.7143 0.8627 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3241 -0.7771 0.1725 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9792 0.2806 -0.4256 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3437 0.4717 -0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9521 1.5573 -1.0074 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3542 1.7578 -0.9680 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0693 -0.4790 0.3072 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4724 -1.5567 0.9249 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3795 -0.1289 -2.0096 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0563 -2.3643 -0.6774 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3172 -2.0958 -1.9675 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5052 0.2159 -1.5379 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7980 0.9391 0.7034 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4638 -0.2124 2.0525 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1419 -1.4921 0.7755 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0316 1.3589 2.4520 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6863 1.8148 1.2701 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1683 3.2005 0.2609 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5502 2.5124 1.2686 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8183 2.0971 -1.2181 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2697 0.5571 -2.2949 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3016 1.7799 -1.4637 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6710 -1.1051 -0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3229 1.1173 -0.4344 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6702 -2.1771 0.7147 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7545 -3.7456 1.8840 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3316 0.9861 -0.9543 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8692 1.0649 -1.6493 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7007 1.6337 0.0934 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5423 2.7949 -1.3246 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1454 -0.3885 0.3776 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0435 -2.3038 1.4703 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1614 -0.9464 -2.2547 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