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
-5.0250 2.0864 -0.3889 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1088 1.8425 0.5166 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8097 1.1775 0.3208 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5078 0.6865 -1.0516 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2780 -0.7271 -1.1245 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4418 -1.4838 -0.6554 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9077 -0.9680 0.7011 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8212 -0.0735 1.2216 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4509 -0.7103 1.0935 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1621 -1.1582 -0.3307 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1677 -0.6033 -0.8019 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3274 -1.2103 -0.0693 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2445 -2.3128 0.7182 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3729 -2.7943 1.3610 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5691 -2.1971 1.2279 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6710 -1.0982 0.4458 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5772 -0.5822 -0.2127 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7372 0.5283 -0.9880 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9701 1.1627 -1.1375 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0542 2.2826 -1.9378 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2037 3.0262 -2.1890 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0731 0.6615 -0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9008 -0.4575 0.2908 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3725 -0.9999 -2.1421 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9622 1.8308 -1.4266 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9526 2.6031 -0.0548 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3226 2.1674 1.5501 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9633 1.8128 0.7336 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5615 1.1995 -1.3871 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2463 1.0055 -1.8330 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0756 -2.5137 -0.4739 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2494 -1.5150 -1.3862 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8049 -0.3430 0.5261 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1433 -1.8122 1.3870 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9615 0.2084 2.2734 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7243 0.1108 1.3316 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3366 -1.5374 1.7922 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1303 -2.2611 -0.3783 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1332 0.4748 -0.6582 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3204 -2.8387 0.8526 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2610 -3.6668 1.9720 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8586 0.9177 -1.5093 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8366 3.0285 -1.2713 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7008 2.6291 -3.0750 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8652 4.0721 -2.4247 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0595 1.1358 -0.5814 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7466 -0.8984 0.8331 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0761 -1.8877 -2.2233 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