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
4.9732 1.9504 0.9592 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6787 2.1392 1.0616 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6363 1.3710 0.3479 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6893 2.2056 -0.4652 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3167 1.5473 -1.7067 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4721 1.6017 -2.5765 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5853 0.8467 -1.9265 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1615 0.3009 -0.5650 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9671 -0.6333 -0.8348 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8946 0.1543 -1.4872 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3899 0.2773 -0.6599 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0724 -1.0399 -0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6471 -2.1911 -1.1093 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3081 -3.3838 -0.9268 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3927 -3.3986 -0.1206 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8207 -2.2790 0.4911 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1877 -1.0437 0.3405 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6521 0.0846 0.9798 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7614 0.0263 1.7917 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2697 1.1265 2.4566 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4119 1.0258 3.2819 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3994 -1.1866 1.9520 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9409 -2.3318 1.3124 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2367 1.0455 -1.5035 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6679 2.5515 1.5114 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3513 1.1790 0.3143 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3511 2.9427 1.7411 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0257 0.8429 1.1331 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2192 3.1336 -0.7595 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7907 2.5259 0.0966 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2195 1.2463 -3.5994 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7414 2.6755 -2.6908 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7952 -0.0488 -2.5717 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5039 1.4325 -1.8982 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0067 -0.2714 -0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4295 -1.4298 -1.4805 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6818 -1.0305 0.1575 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6176 -0.2271 -2.4867 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2057 0.7610 0.2942 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2098 -2.1878 -1.7545 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9766 -4.3073 -1.4152 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1314 1.0129 0.8303 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2466 0.7034 2.6255 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6397 1.9575 3.8028 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2381 0.2009 4.0286 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2845 -1.2613 2.5921 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4384 -3.2958 1.4327 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3346 0.5747 -2.3443 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