1-[6-[(R)-hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethanone

C20H24N2O3 — CID 135033521

IUPAC1-[6-[(R)-hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethanone
SMILESCOc1ccc2nccc([C@@H](O)C3CC4CCN3CC4C(C)=O)c2c1
InChIInChI=1S/C20H24N2O3/c1-12(23)17-11-22-8-6-13(17)9-19(22)20(24)15-5-7-21-18-4-3-14(25-2)10-16(15)18/h3-5,7,10,13,17,19-20,24H,6,8-9,11H2,1-2H3/t13?,17?,19?,20-/m1/s1
InChIKeyBAQVBMFWACVSNV-QLAJIEPCSA-N
MW340.42 g/mol
LogP2.58
Rot. Bonds4

About 1-[6-[(R)-hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethanone

1-[6-[(R)-hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethanone (PubChem CID 135033521) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-[6-[(R)-hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethanone.

Molecular Properties

Compound Name1-[6-[(R)-hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethanone
PubChem CID135033521
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-[6-[(R)-hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethanone
SMILESCOc1ccc2nccc([C@@H](O)C3CC4CCN3CC4C(C)=O)c2c1
InChIInChI=1S/C20H24N2O3/c1-12(23)17-11-22-8-6-13(17)9-19(22)20(24)15-5-7-21-18-4-3-14(25-2)10-16(15)18/h3-5,7,10,13,17,19-20,24H,6,8-9,11H2,1-2H3/t13?,17?,19?,20-/m1/s1
InChIKeyBAQVBMFWACVSNV-QLAJIEPCSA-N
XLogP2.58
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[6-[(R)-hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethanone with MolForge

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Related Compounds

[(2R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;methane;hydrate
CID 66524138
1-azabicyclo[2.2.1]heptan-2-yl-(6-methoxyquinolin-4-yl)methanol
CID 132545018
(S)-[(2S,4R,5S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 6604612
(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-(111C)methoxyquinolin-4-yl)methanol
CID 56643420
(S)-[(4R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 155372243
[(2R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 16759993
(R)-[(2R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 23305116
(R)-[(4S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 155372245
(R)-[(2S,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 5484444
(S)-[(2R,5S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 66589237
(R)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;urea
CID 121331703
azane;[(2R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 146405919

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(R)-hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethanone?
The IUPAC name of 1-[6-[(R)-hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethanone (CID 135033521) is 1-[6-[(R)-hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethanone.
What is the SMILES notation for 1-[6-[(R)-hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethanone?
The canonical SMILES for 1-[6-[(R)-hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethanone is COc1ccc2nccc([C@@H](O)C3CC4CCN3CC4C(C)=O)c2c1.
What is the InChIKey of 1-[6-[(R)-hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethanone?
The InChIKey is BAQVBMFWACVSNV-QLAJIEPCSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-12(23)17-11-22-8-6-13(17)9-19(22)20(24)15-5-7-21-18-4-3-14(25-2)10-16(15)18/h3-5,7,10,13,17,19-20,24H,6,8-9,11H2,1-2H3/t13?,17?,19?,20-/m1/s1.
What are the key properties of 1-[6-[(R)-hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethanone?
1-[6-[(R)-hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethanone has a molecular weight of 340.42 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(R)-hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethanone is sourced from PubChem (CID 135033521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).