2-[[(1R,5S)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]quinoline

C20H27N3O — CID 155549845

IUPAC2-[[(1R,5S)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]quinoline
SMILESCOCCN1C[C@@H]2CC[C@H]1CN(Cc1ccc3ccccc3n1)C2
InChIInChI=1S/C20H27N3O/c1-24-11-10-23-13-16-6-9-19(23)15-22(12-16)14-18-8-7-17-4-2-3-5-20(17)21-18/h2-5,7-8,16,19H,6,9-15H2,1H3/t16-,19+/m1/s1
InChIKeyKUTJFOWZNWXLGG-APWZRJJASA-N
MW325.46 g/mol
LogP2.78
Rot. Bonds5

About 2-[[(1R,5S)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]quinoline

2-[[(1R,5S)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]quinoline (PubChem CID 155549845) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-[[(1R,5S)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]quinoline.

Molecular Properties

Compound Name2-[[(1R,5S)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]quinoline
PubChem CID155549845
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name2-[[(1R,5S)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]quinoline
SMILESCOCCN1C[C@@H]2CC[C@H]1CN(Cc1ccc3ccccc3n1)C2
InChIInChI=1S/C20H27N3O/c1-24-11-10-23-13-16-6-9-19(23)15-22(12-16)14-18-8-7-17-4-2-3-5-20(17)21-18/h2-5,7-8,16,19H,6,9-15H2,1H3/t16-,19+/m1/s1
InChIKeyKUTJFOWZNWXLGG-APWZRJJASA-N
XLogP2.78
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[(1R,5S)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]quinoline with MolForge

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Related Compounds

2-[[(1R,5S)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1-methylbenzimidazole
CID 133111250
(1R,5S)-6-(2-methoxyethyl)-3-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 133117568
3-(furan-2-yl)-5-[[(1S,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,2,4-oxadiazole
CID 72936980
(1S,5R)-3-[(3-chloro-4-methoxyphenyl)methyl]-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 72845829
(1S,5R)-3-(3-methoxypropyl)-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 72921867
(1S,5R)-3-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 70744314
5-[[(1R,5S)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 133123844
(1S,10R)-11-(quinolin-2-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene
CID 58926615
(1S,5R)-6-(2-methoxyethyl)-3-[3-(4-methoxyphenyl)prop-2-enyl]-3,6-diazabicyclo[3.2.2]nonane
CID 91940118
1-(quinolin-2-ylmethyl)azetidin-3-amine
CID 63760715
(1S,5R)-3-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 72910368
(1S,5R)-3-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 72907377

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,5S)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]quinoline?
The IUPAC name of 2-[[(1R,5S)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]quinoline (CID 155549845) is 2-[[(1R,5S)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]quinoline.
What is the SMILES notation for 2-[[(1R,5S)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]quinoline?
The canonical SMILES for 2-[[(1R,5S)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]quinoline is COCCN1C[C@@H]2CC[C@H]1CN(Cc1ccc3ccccc3n1)C2.
What is the InChIKey of 2-[[(1R,5S)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]quinoline?
The InChIKey is KUTJFOWZNWXLGG-APWZRJJASA-N. The full InChI is InChI=1S/C20H27N3O/c1-24-11-10-23-13-16-6-9-19(23)15-22(12-16)14-18-8-7-17-4-2-3-5-20(17)21-18/h2-5,7-8,16,19H,6,9-15H2,1H3/t16-,19+/m1/s1.
What are the key properties of 2-[[(1R,5S)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]quinoline?
2-[[(1R,5S)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]quinoline has a molecular weight of 325.46 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,5S)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]quinoline is sourced from PubChem (CID 155549845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).