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
-5.7365 -0.4097 0.8239 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0221 -0.1712 -0.2356 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5446 -0.2210 -0.3505 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8316 -0.6045 0.9072 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4548 -0.1100 0.8335 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5100 1.2908 1.1904 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7407 1.8979 0.5297 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9545 1.1298 -0.7706 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5844 0.7897 -1.3762 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9690 -0.3037 -0.5243 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5330 -0.1076 -0.5958 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2681 -1.1056 0.1909 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6769 -2.2054 0.7676 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4394 -3.0846 1.4755 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7512 -2.9254 1.6369 N 0 0 0 0 0 0 0 0 0 0 0 0
3.3707 -1.8761 1.0981 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6262 -0.9442 0.3605 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3197 0.1248 -0.1694 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6770 0.2743 0.0142 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2875 1.3765 -0.5522 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5548 2.3209 -1.2932 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3939 -0.6622 0.7486 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7299 -1.7421 1.2912 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8799 -0.3172 -1.9434 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.8105 -0.3383 0.7729 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2804 -0.6785 1.7547 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5484 0.1013 -1.1733 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3025 -0.9160 -1.1857 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3356 -0.1826 1.8172 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8130 -1.7094 0.9825 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5427 1.3704 2.2941 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6570 1.8848 0.8573 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5515 2.9726 0.3082 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5839 1.7574 1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5755 1.6619 -1.4886 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8262 0.4197 -2.4060 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9852 1.7077 -1.4018 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3103 -1.2570 -0.9274 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7425 0.8964 -0.2387 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3757 -2.3222 0.6298 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9739 -3.9528 1.9310 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7406 0.8620 -0.7506 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1706 1.8692 -2.2288 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2204 3.2006 -1.4859 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6841 2.7230 -0.7072 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4736 -0.5161 0.8784 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2982 -2.4760 1.8698 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0351 0.5078 -2.4336 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