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
5.0281 2.2600 -0.8240 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3673 1.8667 0.2198 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1047 1.1147 0.2914 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4167 0.8110 -0.9854 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6125 -0.4542 -0.7892 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5828 -1.4906 -0.9267 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7278 -1.2676 0.0276 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3150 -0.1987 1.0264 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9516 -0.5904 1.5879 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9691 -0.2785 0.4392 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3853 -0.7332 0.7080 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2842 -1.3663 -0.2142 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1338 -2.5752 -0.8402 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1423 -3.2039 -1.5523 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3238 -2.6311 -1.6536 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.5739 -1.4505 -1.0811 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5752 -0.7965 -0.3577 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7754 0.4517 0.1238 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0017 1.1014 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0920 2.3470 0.4151 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0534 3.3012 0.4224 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9754 0.4425 -0.8053 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7815 -0.8364 -1.3070 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9000 -0.3309 1.9627 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9288 2.7967 -0.7897 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6094 2.0145 -1.8234 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8069 2.1254 1.1965 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4614 1.7205 1.0146 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1533 0.6417 -1.7814 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7218 1.6430 -1.2439 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0143 -1.3770 -1.9485 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2036 -2.5047 -0.8417 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6458 -0.9296 -0.4826 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9256 -2.1992 0.6315 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0230 -0.1330 1.8642 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8820 -1.6576 1.8334 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7552 0.0386 2.4566 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8840 0.8876 0.5615 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0082 -1.8497 1.2466 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1379 -3.0489 -0.7598 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9441 -4.1562 -1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9966 0.9444 0.6539 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7606 3.1654 1.2752 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6260 3.4008 -0.5445 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5432 4.2947 0.6263 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9338 0.9627 -0.9928 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5910 -1.2924 -1.8523 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5678 -0.9797 2.2238 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