3-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-2H-isoquinolin-1-one

C18H22N2O4 — CID 129484317

IUPAC3-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-2H-isoquinolin-1-one
SMILESCOC[C@H]1CN(C(=O)c2cc3ccccc3c(=O)[nH]2)CC(C)(C)O1
InChIInChI=1S/C18H22N2O4/c1-18(2)11-20(9-13(24-18)10-23-3)17(22)15-8-12-6-4-5-7-14(12)16(21)19-15/h4-8,13H,9-11H2,1-3H3,(H,19,21)/t13-/m1/s1
InChIKeyCBWWCWJWBHNCAO-CYBMUJFWSA-N
MW330.38 g/mol
LogP1.79
Rot. Bonds3

About 3-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-2H-isoquinolin-1-one

3-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-2H-isoquinolin-1-one (PubChem CID 129484317) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 3-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-2H-isoquinolin-1-one.

Molecular Properties

Compound Name3-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-2H-isoquinolin-1-one
PubChem CID129484317
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name3-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-2H-isoquinolin-1-one
SMILESCOC[C@H]1CN(C(=O)c2cc3ccccc3c(=O)[nH]2)CC(C)(C)O1
InChIInChI=1S/C18H22N2O4/c1-18(2)11-20(9-13(24-18)10-23-3)17(22)15-8-12-6-4-5-7-14(12)16(21)19-15/h4-8,13H,9-11H2,1-3H3,(H,19,21)/t13-/m1/s1
InChIKeyCBWWCWJWBHNCAO-CYBMUJFWSA-N
XLogP1.79
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-2H-isoquinolin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-1H-pyridin-2-one
CID 128978783
[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 128964827
4-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-2-methylisoquinolin-1-one
CID 129350098
4-[6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-2-methylisoquinolin-1-one
CID 128969303
furan-3-yl-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 129485837
[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 129484746
[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-quinolin-6-ylmethanone
CID 128978468
5-[6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-4-methyl-1H-pyridin-2-one
CID 128978782
[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone
CID 129485960
3-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]benzonitrile
CID 129485781
[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylquinolin-8-yl)methanone
CID 129486246
[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(5-methylfuran-2-yl)methanone
CID 129484541

Frequently Asked Questions

What is the IUPAC name of 3-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-2H-isoquinolin-1-one?
The IUPAC name of 3-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-2H-isoquinolin-1-one (CID 129484317) is 3-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-2H-isoquinolin-1-one.
What is the SMILES notation for 3-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-2H-isoquinolin-1-one?
The canonical SMILES for 3-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-2H-isoquinolin-1-one is COC[C@H]1CN(C(=O)c2cc3ccccc3c(=O)[nH]2)CC(C)(C)O1.
What is the InChIKey of 3-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-2H-isoquinolin-1-one?
The InChIKey is CBWWCWJWBHNCAO-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-18(2)11-20(9-13(24-18)10-23-3)17(22)15-8-12-6-4-5-7-14(12)16(21)19-15/h4-8,13H,9-11H2,1-3H3,(H,19,21)/t13-/m1/s1.
What are the key properties of 3-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-2H-isoquinolin-1-one?
3-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-2H-isoquinolin-1-one has a molecular weight of 330.38 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-2H-isoquinolin-1-one is sourced from PubChem (CID 129484317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).