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
5.9128 -0.3721 -1.0149 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9461 0.3656 -0.5065 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5372 -0.1160 -0.3960 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6613 0.7529 -1.2416 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4372 1.0416 -0.4842 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8576 1.9345 0.5757 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8227 1.2877 1.5415 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0775 -0.1254 1.0609 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7408 -0.8365 1.0912 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8995 -0.1925 -0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5493 -0.1879 0.3402 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4759 -0.0887 -0.8078 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0156 0.1886 -2.0858 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9436 0.2770 -3.0975 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2528 0.1045 -2.8788 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.7058 -0.1668 -1.6325 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8421 -0.2717 -0.5664 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3344 -0.5583 0.7054 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6982 -0.7413 0.9183 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1676 -1.0245 2.1868 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2389 -1.1214 3.2444 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5128 -0.6241 -0.1832 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0743 -0.3469 -1.4373 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8351 0.7329 1.3506 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9145 -0.0003 -1.0815 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6863 -1.3603 -1.3654 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1862 1.3765 -0.1496 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4741 -1.1658 -0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4463 0.3364 -2.2358 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1479 1.7581 -1.3936 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0282 2.4043 1.1204 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4130 2.7635 0.0799 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8041 1.8009 1.5682 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4101 1.2337 2.5648 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8475 -0.6471 1.6425 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2633 -0.6492 2.0758 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8749 -1.9159 0.9342 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9966 -0.9208 -0.8862 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7803 -1.1910 0.8098 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0460 0.3273 -2.2674 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5568 0.4955 -4.0940 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6538 -0.6427 1.5222 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7322 -1.3535 4.2088 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7376 -0.1210 3.3915 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4188 -1.8320 3.0058 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5938 -0.7619 -0.0532 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7123 -0.2525 -2.3170 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5998 0.4065 2.2540 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