7-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-2H-isoquinolin-1-one

C17H22N2O3 — CID 141149868

IUPAC7-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-2H-isoquinolin-1-one
SMILESC[C@@H]1CN(CCOc2ccc3cc[nH]c(=O)c3c2)C[C@H](C)O1
InChIInChI=1S/C17H22N2O3/c1-12-10-19(11-13(2)22-12)7-8-21-15-4-3-14-5-6-18-17(20)16(14)9-15/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,18,20)/t12-,13+
InChIKeyUHSACRNJGBKINF-BETUJISGSA-N
MW302.37 g/mol
LogP2.02
Rot. Bonds4

About 7-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-2H-isoquinolin-1-one

7-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-2H-isoquinolin-1-one (PubChem CID 141149868) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 7-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-2H-isoquinolin-1-one.

Molecular Properties

Compound Name7-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-2H-isoquinolin-1-one
PubChem CID141149868
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name7-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-2H-isoquinolin-1-one
SMILESC[C@@H]1CN(CCOc2ccc3cc[nH]c(=O)c3c2)C[C@H](C)O1
InChIInChI=1S/C17H22N2O3/c1-12-10-19(11-13(2)22-12)7-8-21-15-4-3-14-5-6-18-17(20)16(14)9-15/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,18,20)/t12-,13+
InChIKeyUHSACRNJGBKINF-BETUJISGSA-N
XLogP2.02
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-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

Frequently Asked Questions

What is the IUPAC name of 7-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-2H-isoquinolin-1-one?
The IUPAC name of 7-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-2H-isoquinolin-1-one (CID 141149868) is 7-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-2H-isoquinolin-1-one.
What is the SMILES notation for 7-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-2H-isoquinolin-1-one?
The canonical SMILES for 7-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-2H-isoquinolin-1-one is C[C@@H]1CN(CCOc2ccc3cc[nH]c(=O)c3c2)C[C@H](C)O1.
What is the InChIKey of 7-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-2H-isoquinolin-1-one?
The InChIKey is UHSACRNJGBKINF-BETUJISGSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12-10-19(11-13(2)22-12)7-8-21-15-4-3-14-5-6-18-17(20)16(14)9-15/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,18,20)/t12-,13+.
What are the key properties of 7-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-2H-isoquinolin-1-one?
7-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-2H-isoquinolin-1-one has a molecular weight of 302.37 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-2H-isoquinolin-1-one is sourced from PubChem (CID 141149868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).