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
6.1471 0.0390 -1.2311 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9322 -0.4611 -1.1702 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9606 0.0852 -0.2061 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4086 -0.9594 0.7534 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1064 -0.5308 1.2308 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1309 0.9033 1.3942 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1702 1.6570 0.0805 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7263 0.6474 -0.9231 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6603 -0.4166 -1.0899 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1473 -0.9470 0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2505 -0.4928 0.5531 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2584 -0.9379 -0.4182 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9867 -1.8366 -1.4456 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9498 -2.2201 -2.3462 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1824 -1.7166 -2.2326 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4976 -0.8584 -1.2745 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5384 -0.4496 -0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9213 0.4360 0.6239 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2142 0.9347 0.7060 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5106 1.8173 1.7056 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7973 2.3665 1.8511 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1291 0.5020 -0.2389 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7889 -0.3840 -1.2229 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5539 -1.1078 1.7788 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4309 0.8444 -0.5798 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8620 -0.3513 -1.9285 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6843 -1.2798 -1.8509 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4541 0.8915 0.3719 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3447 -1.9054 0.1563 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1151 -1.1492 1.5882 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2534 1.2873 1.9517 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0194 1.1377 2.0180 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9694 2.4429 0.1429 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2200 2.0898 -0.2319 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9606 1.0996 -1.8812 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8826 0.0236 -1.7374 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1257 -1.2509 -1.7026 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1451 -2.0541 0.2108 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2915 0.5883 0.7925 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0112 -2.2401 -1.5301 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7284 -2.9069 -3.1283 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2067 0.7607 1.3516 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5470 1.6568 2.2182 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1621 2.7360 0.8498 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7451 3.2170 2.5826 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1395 0.8792 -0.1942 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4952 -0.7313 -1.9710 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0484 -1.8554 1.9890 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