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
-5.9783 1.1037 -1.1316 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6907 0.7899 -1.0993 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9521 0.3890 0.1254 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9380 1.4198 0.5317 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7364 0.7211 0.9290 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.0343 -0.2501 1.9218 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9094 -1.3872 1.4294 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3338 -0.9762 0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0105 -0.9604 -0.7654 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1743 0.1802 -0.3243 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2608 -0.0159 -0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1730 -0.3384 -1.1453 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8357 -0.7755 -2.3981 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8094 -1.0343 -3.3352 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1055 -0.8538 -3.0144 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5022 -0.4308 -1.8087 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5355 -0.1669 -0.8523 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9909 0.2809 0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3293 0.4838 0.6806 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6883 0.9505 1.9575 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0627 1.1452 2.2112 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2660 0.2127 -0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8518 -0.2409 -1.5248 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4609 -0.9249 0.9719 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4869 1.3911 -2.0444 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5550 1.0821 -0.2219 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1415 0.8306 -2.0288 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6927 0.3317 0.9799 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2404 2.0754 1.3596 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6804 2.0179 -0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7001 0.2905 2.6713 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1875 -0.5863 2.5397 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8144 -1.5500 2.0252 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3708 -2.3576 1.4137 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9586 -1.7074 -0.4756 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5038 -1.9201 -0.5663 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2806 -0.9513 -1.8551 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3729 1.0158 -1.0614 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6062 0.9993 0.3723 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1737 -0.9189 -2.6677 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5193 -1.3851 -4.3350 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3012 0.5011 1.1668 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2704 1.2826 3.2938 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6036 0.2291 1.9191 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4775 1.9801 1.5907 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3157 0.3652 -0.0643 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5543 -0.4671 -2.3146 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3969 -1.8702 0.6781 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