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
4.6460 2.5074 -0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4510 1.2739 -0.1229 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0793 0.7277 -0.0336 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7479 0.1846 1.3584 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0421 -1.0308 1.3317 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0471 -2.0827 1.0301 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6570 -1.6724 -0.2911 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9782 -0.4922 -0.9337 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4642 -0.7715 -1.0259 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0313 -1.2563 0.3217 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3188 -0.6219 0.6890 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3412 -1.0359 -0.2696 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1842 -2.0655 -1.1719 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1579 -2.4140 -2.0661 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3041 -1.7347 -2.0655 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.5122 -0.7230 -1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5587 -0.3246 -0.2733 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7941 0.6989 0.6093 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0167 1.3477 0.5585 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2258 2.3756 1.4592 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4337 3.1121 1.5028 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9716 0.9810 -0.3457 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7361 -0.0452 -1.2271 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0309 0.7355 0.7015 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7852 3.1290 -0.8249 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6492 2.9337 -0.6177 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3184 0.6682 0.1552 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3669 1.5136 -0.2627 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4371 0.9601 2.0666 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7950 -0.0769 1.7534 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5693 -3.0595 0.9937 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8173 -2.0416 1.8249 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6601 -2.5375 -0.9829 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7364 -1.3856 -0.1575 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4263 -0.3388 -1.9187 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3380 -1.4245 -1.8767 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9363 0.1823 -1.2799 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9034 -2.3446 0.2783 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5629 -0.9816 1.7324 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2989 -2.6595 -1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9982 -3.2481 -2.7793 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0660 0.9907 1.3483 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4494 3.7560 0.5923 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4429 3.7092 2.4243 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3159 2.4282 1.5331 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8968 1.5012 -0.3571 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4694 -0.3558 -1.9476 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2034 1.0083 1.6235 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