2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(2-phenylethyl)acetamide

C22H24N2O4 — CID 7293329

IUPAC2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(2-phenylethyl)acetamide
SMILESCOCCn1ccc2c(OCC(=O)NCCc3ccccc3)cccc2c1=O
InChIInChI=1S/C22H24N2O4/c1-27-15-14-24-13-11-18-19(22(24)26)8-5-9-20(18)28-16-21(25)23-12-10-17-6-3-2-4-7-17/h2-9,11,13H,10,12,14-16H2,1H3,(H,23,25)
InChIKeyBRRFBFJLOXOXLH-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.39
Rot. Bonds9

About 2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(2-phenylethyl)acetamide

2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(2-phenylethyl)acetamide (PubChem CID 7293329) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(2-phenylethyl)acetamide
PubChem CID7293329
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(2-phenylethyl)acetamide
SMILESCOCCn1ccc2c(OCC(=O)NCCc3ccccc3)cccc2c1=O
InChIInChI=1S/C22H24N2O4/c1-27-15-14-24-13-11-18-19(22(24)26)8-5-9-20(18)28-16-21(25)23-12-10-17-6-3-2-4-7-17/h2-9,11,13H,10,12,14-16H2,1H3,(H,23,25)
InChIKeyBRRFBFJLOXOXLH-UHFFFAOYSA-N
XLogP2.39
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(2-phenylethyl)acetamide 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 2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(2-phenylethyl)acetamide (CID 7293329) is 2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(2-phenylethyl)acetamide is COCCn1ccc2c(OCC(=O)NCCc3ccccc3)cccc2c1=O.
What is the InChIKey of 2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(2-phenylethyl)acetamide?
The InChIKey is BRRFBFJLOXOXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-27-15-14-24-13-11-18-19(22(24)26)8-5-9-20(18)28-16-21(25)23-12-10-17-6-3-2-4-7-17/h2-9,11,13H,10,12,14-16H2,1H3,(H,23,25).
What are the key properties of 2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(2-phenylethyl)acetamide?
2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(2-phenylethyl)acetamide has a molecular weight of 380.44 g/mol, XLogP of 2.39, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 7293329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).