4-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-2-methylisoquinolin-1-one

C19H24N2O4 — CID 129350098

IUPAC4-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-2-methylisoquinolin-1-one
SMILESCOC[C@H]1CN(C(=O)c2cn(C)c(=O)c3ccccc23)CC(C)(C)O1
InChIInChI=1S/C19H24N2O4/c1-19(2)12-21(9-13(25-19)11-24-4)18(23)16-10-20(3)17(22)15-8-6-5-7-14(15)16/h5-8,10,13H,9,11-12H2,1-4H3/t13-/m1/s1
InChIKeyACMYEVLXOBZNNL-CYBMUJFWSA-N
MW344.41 g/mol
LogP1.80
Rot. Bonds3

About 4-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-2-methylisoquinolin-1-one

4-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-2-methylisoquinolin-1-one (PubChem CID 129350098) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-2-methylisoquinolin-1-one.

Molecular Properties

Compound Name4-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-2-methylisoquinolin-1-one
PubChem CID129350098
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name4-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-2-methylisoquinolin-1-one
SMILESCOC[C@H]1CN(C(=O)c2cn(C)c(=O)c3ccccc23)CC(C)(C)O1
InChIInChI=1S/C19H24N2O4/c1-19(2)12-21(9-13(25-19)11-24-4)18(23)16-10-20(3)17(22)15-8-6-5-7-14(15)16/h5-8,10,13H,9,11-12H2,1-4H3/t13-/m1/s1
InChIKeyACMYEVLXOBZNNL-CYBMUJFWSA-N
XLogP1.80
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-2-methylisoquinolin-1-one?
The IUPAC name of 4-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-2-methylisoquinolin-1-one (CID 129350098) is 4-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-2-methylisoquinolin-1-one.
What is the SMILES notation for 4-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-2-methylisoquinolin-1-one?
The canonical SMILES for 4-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-2-methylisoquinolin-1-one is COC[C@H]1CN(C(=O)c2cn(C)c(=O)c3ccccc23)CC(C)(C)O1.
What is the InChIKey of 4-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-2-methylisoquinolin-1-one?
The InChIKey is ACMYEVLXOBZNNL-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-19(2)12-21(9-13(25-19)11-24-4)18(23)16-10-20(3)17(22)15-8-6-5-7-14(15)16/h5-8,10,13H,9,11-12H2,1-4H3/t13-/m1/s1.
What are the key properties of 4-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-2-methylisoquinolin-1-one?
4-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-2-methylisoquinolin-1-one has a molecular weight of 344.41 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-2-methylisoquinolin-1-one is sourced from PubChem (CID 129350098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).