4-[(E)-[(4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-ylidene]methyl]-6-methoxyquinoline

C20H24N2O — CID 122399447

IUPAC4-[(E)-[(4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-ylidene]methyl]-6-methoxyquinoline
SMILESCC[C@H]1CN2CC[C@H]1C/C2=C\c1ccnc2ccc(OC)cc12
InChIInChI=1S/C20H24N2O/c1-3-14-13-22-9-7-15(14)10-17(22)11-16-6-8-21-20-5-4-18(23-2)12-19(16)20/h4-6,8,11-12,14-15H,3,7,9-10,13H2,1-2H3/b17-11+/t14-,15-/m0/s1
InChIKeyICKLKLLMJNSTGC-CNTTZWEVSA-N
MW308.43 g/mol
LogP4.34
Rot. Bonds3

About 4-[(E)-[(4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-ylidene]methyl]-6-methoxyquinoline

4-[(E)-[(4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-ylidene]methyl]-6-methoxyquinoline (PubChem CID 122399447) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 4-[(E)-[(4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-ylidene]methyl]-6-methoxyquinoline.

Molecular Properties

Compound Name4-[(E)-[(4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-ylidene]methyl]-6-methoxyquinoline
PubChem CID122399447
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name4-[(E)-[(4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-ylidene]methyl]-6-methoxyquinoline
SMILESCC[C@H]1CN2CC[C@H]1C/C2=C\c1ccnc2ccc(OC)cc12
InChIInChI=1S/C20H24N2O/c1-3-14-13-22-9-7-15(14)10-17(22)11-16-6-8-21-20-5-4-18(23-2)12-19(16)20/h4-6,8,11-12,14-15H,3,7,9-10,13H2,1-2H3/b17-11+/t14-,15-/m0/s1
InChIKeyICKLKLLMJNSTGC-CNTTZWEVSA-N
XLogP4.34
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(E)-[(4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-ylidene]methyl]-6-methoxyquinoline with MolForge

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Related Compounds

(2S,4S,5R)-5-ethyl-N-[(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-2-amine
CID 171780647
(2Z,4S,5R)-5-ethyl-2-(pyridin-4-ylmethylidene)-1-azabicyclo[2.2.2]octane
CID 122399448
(S)-[(4R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 155372243
(S)-[(2S,4R,5S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 6604612
(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
(S)-[(2R,5S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 66589237
4-[(R)-[(2S,4R,5S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-hydroperoxymethyl]-6-methoxyquinoline
CID 90476786
(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol;hydron;bromide
CID 74765327
4-[(S)-ethoxy-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]-6-methoxyquinoline
CID 66595869
4-[(S)-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-[(2-methylpropan-2-yl)oxy]methyl]-6-methoxyquinoline;4-[(R)-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-[(2-methylpropan-2-yl)oxy]methyl]-6-methoxyquinoline
CID 162023827
4-[[(5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]-6-methoxyquinoline
CID 142080234

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-ylidene]methyl]-6-methoxyquinoline?
The IUPAC name of 4-[(E)-[(4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-ylidene]methyl]-6-methoxyquinoline (CID 122399447) is 4-[(E)-[(4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-ylidene]methyl]-6-methoxyquinoline.
What is the SMILES notation for 4-[(E)-[(4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-ylidene]methyl]-6-methoxyquinoline?
The canonical SMILES for 4-[(E)-[(4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-ylidene]methyl]-6-methoxyquinoline is CC[C@H]1CN2CC[C@H]1C/C2=C\c1ccnc2ccc(OC)cc12.
What is the InChIKey of 4-[(E)-[(4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-ylidene]methyl]-6-methoxyquinoline?
The InChIKey is ICKLKLLMJNSTGC-CNTTZWEVSA-N. The full InChI is InChI=1S/C20H24N2O/c1-3-14-13-22-9-7-15(14)10-17(22)11-16-6-8-21-20-5-4-18(23-2)12-19(16)20/h4-6,8,11-12,14-15H,3,7,9-10,13H2,1-2H3/b17-11+/t14-,15-/m0/s1.
What are the key properties of 4-[(E)-[(4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-ylidene]methyl]-6-methoxyquinoline?
4-[(E)-[(4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-ylidene]methyl]-6-methoxyquinoline has a molecular weight of 308.43 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-ylidene]methyl]-6-methoxyquinoline is sourced from PubChem (CID 122399447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).