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
-4.3092 2.6221 -0.4034 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1726 2.5432 0.2544 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3360 1.3583 0.1991 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0015 0.7469 1.5353 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8754 -0.6924 1.4415 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.1976 -1.2804 1.3059 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8763 -0.5603 0.1622 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8830 0.2356 -0.6500 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6547 -0.6318 -0.9923 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0801 -1.1165 0.2928 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3559 -0.6318 0.5428 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3136 -1.1927 -0.4369 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9848 -2.1643 -1.3539 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9051 -2.6649 -2.2469 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1556 -2.1852 -2.2139 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4952 -1.2381 -1.3268 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6065 -0.6980 -0.4035 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9967 0.2747 0.4921 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2953 0.7285 0.4787 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7337 1.7034 1.3576 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7980 2.2258 2.2795 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2110 0.2054 -0.4371 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8085 -0.7646 -1.3246 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6850 -1.2762 1.7693 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9407 3.5382 -0.3506 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7306 1.8439 -1.0404 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8650 3.3894 0.8478 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3895 1.6760 -0.3462 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0459 1.1656 1.8967 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7596 0.9554 2.3073 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7179 -1.0859 2.2657 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1199 -2.3580 1.1074 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4653 -1.2474 -0.4798 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5894 0.1612 0.6067 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3021 0.5559 -1.6044 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0603 -1.4410 -1.6359 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9765 0.0625 -1.5421 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0633 -2.2231 0.3323 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3885 0.4609 0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0036 -2.5679 -1.3970 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6262 -3.4400 -2.9725 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2990 0.6809 1.2021 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1918 3.1314 2.7945 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9076 2.5895 1.7009 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5043 1.4781 3.0227 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2351 0.5411 -0.4716 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4920 -1.1980 -2.0543 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4262 -2.2157 1.6600 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