1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-quinolin-2-ylsulfanylethanone

C17H20N2O2S — CID 7755411

IUPAC1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-quinolin-2-ylsulfanylethanone
SMILESC[C@@H]1CN(C(=O)CSc2ccc3ccccc3n2)C[C@@H](C)O1
InChIInChI=1S/C17H20N2O2S/c1-12-9-19(10-13(2)21-12)17(20)11-22-16-8-7-14-5-3-4-6-15(14)18-16/h3-8,12-13H,9-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyONQZSULVKLXYJR-CHWSQXEVSA-N
MW316.43 g/mol
LogP2.96
Rot. Bonds3

About 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-quinolin-2-ylsulfanylethanone

1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-quinolin-2-ylsulfanylethanone (PubChem CID 7755411) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-quinolin-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-quinolin-2-ylsulfanylethanone
PubChem CID7755411
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-quinolin-2-ylsulfanylethanone
SMILESC[C@@H]1CN(C(=O)CSc2ccc3ccccc3n2)C[C@@H](C)O1
InChIInChI=1S/C17H20N2O2S/c1-12-9-19(10-13(2)21-12)17(20)11-22-16-8-7-14-5-3-4-6-15(14)18-16/h3-8,12-13H,9-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyONQZSULVKLXYJR-CHWSQXEVSA-N
XLogP2.96
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-quinolin-2-ylsulfanylethanone with MolForge

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Related Compounds

1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridin-2-ylsulfanylethanone
CID 25337251
2-(1,3-benzothiazol-2-ylsulfanyl)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 2407321
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-isoquinolin-1-ylsulfanylethanone
CID 27235556
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-quinolin-2-ylsulfanylethanone
CID 2099144
2-(2-aminophenyl)sulfanyl-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 43248979
2-quinolin-2-ylsulfanylacetamide
CID 2056006
1-(4-benzylpiperazin-4-ium-1-yl)-2-quinolin-2-ylsulfanylethanone
CID 7755413
2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-3-(4-ethylphenyl)quinazolin-4-one
CID 16534195
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
CID 2464656
2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-1-morpholin-4-ylethanone
CID 22332579
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethanone
CID 8729972
2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-3-(3-fluorophenyl)quinazolin-4-one
CID 5000061

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-quinolin-2-ylsulfanylethanone?
The IUPAC name of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-quinolin-2-ylsulfanylethanone (CID 7755411) is 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-quinolin-2-ylsulfanylethanone.
What is the SMILES notation for 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-quinolin-2-ylsulfanylethanone?
The canonical SMILES for 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-quinolin-2-ylsulfanylethanone is C[C@@H]1CN(C(=O)CSc2ccc3ccccc3n2)C[C@@H](C)O1.
What is the InChIKey of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-quinolin-2-ylsulfanylethanone?
The InChIKey is ONQZSULVKLXYJR-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-12-9-19(10-13(2)21-12)17(20)11-22-16-8-7-14-5-3-4-6-15(14)18-16/h3-8,12-13H,9-11H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-quinolin-2-ylsulfanylethanone?
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-quinolin-2-ylsulfanylethanone has a molecular weight of 316.43 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-quinolin-2-ylsulfanylethanone is sourced from PubChem (CID 7755411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).