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
5.6992 -0.6206 1.7069 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4829 -0.2343 1.3877 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9611 -0.6004 0.0457 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5498 0.6519 -0.6918 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2220 0.4747 -1.2412 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2125 -0.7093 -2.0491 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3474 -1.9595 -1.1743 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7039 -1.4779 0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5744 -0.6321 0.7359 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2318 0.5255 -0.2044 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1911 0.3855 -0.6853 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1516 1.3384 -0.0917 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7209 2.6559 0.0719 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5753 3.6615 0.4737 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8460 3.3588 0.7118 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.3092 2.1051 0.5710 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4738 1.0924 0.1711 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9500 -0.2135 0.0795 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2879 -0.5029 0.3945 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6823 -1.8255 0.2772 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9503 -2.3285 0.5455 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1249 0.5112 0.7927 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6331 1.7949 0.8771 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5621 -0.7618 -1.2450 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1481 -0.4019 2.6552 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3272 -1.1831 1.0057 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8896 0.3277 2.0677 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7028 -1.2150 -0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6308 1.5464 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2433 0.7980 -1.5367 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3172 -0.8359 -2.6740 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0922 -0.6243 -2.7318 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1886 -2.5478 -1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4322 -2.5485 -1.1469 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9001 -2.3055 0.9044 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9613 -0.1781 1.7022 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7451 -1.2657 0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3355 1.4442 0.3698 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0315 1.0224 -1.7298 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3096 2.9047 -0.1404 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1410 4.6690 0.5794 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2914 -0.9735 -0.2083 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0057 -2.9229 1.4950 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7179 -1.5453 0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1458 -3.1019 -0.2537 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1539 0.3160 1.0412 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2811 2.6010 1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9816 -0.6694 -2.1252 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