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
5.2436 1.8437 1.4320 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0373 0.9750 0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8219 0.6940 -0.2926 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6607 1.6186 -0.1174 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5431 0.8352 0.3572 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9814 0.2811 1.6066 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9405 -0.8762 1.4270 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4521 -0.7584 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2924 -1.1625 -0.8780 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2039 -0.1567 -0.6414 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1700 -0.7458 -0.4133 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2408 -0.2921 -1.3087 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9378 -0.0546 -2.6658 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9122 0.2511 -3.5736 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1868 0.3222 -3.1385 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4981 0.1030 -1.8536 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5506 -0.2126 -0.8822 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8901 -0.3803 0.4298 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2371 -0.2273 0.7797 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5796 -0.3944 2.0915 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8795 -0.2685 2.6186 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2045 0.0800 -0.1437 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8327 0.2411 -1.4453 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4111 -1.3316 0.7496 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4782 2.4712 1.7831 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2357 1.9021 1.8562 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9105 0.3572 0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1327 0.6788 -1.3927 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3858 2.0855 -1.1021 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9126 2.4332 0.6206 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5365 1.0700 2.1453 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1814 -0.0388 2.2941 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3726 -1.8178 1.4951 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8133 -0.8294 2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3606 -1.3494 -0.1595 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9758 -2.2138 -0.6783 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6745 -1.1725 -1.9281 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1190 0.4068 -1.5847 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0602 -1.7892 -1.0433 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0828 -0.1447 -2.9826 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6357 0.4267 -4.6232 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1714 -0.5899 1.1987 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2433 0.7866 2.5281 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6031 -1.0013 2.2145 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8052 -0.4756 3.7159 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2623 0.2022 0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5733 0.4895 -2.2188 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5836 -2.2720 0.8373 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