2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-[(4-methylphenyl)methyl]acetamide

C22H24N2O4 — CID 7293331

IUPAC2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-[(4-methylphenyl)methyl]acetamide
SMILESCOCCn1ccc2c(OCC(=O)NCc3ccc(C)cc3)cccc2c1=O
InChIInChI=1S/C22H24N2O4/c1-16-6-8-17(9-7-16)14-23-21(25)15-28-20-5-3-4-19-18(20)10-11-24(22(19)26)12-13-27-2/h3-11H,12-15H2,1-2H3,(H,23,25)
InChIKeyRFFANVOEOPOLAR-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.65
Rot. Bonds8

About 2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-[(4-methylphenyl)methyl]acetamide

2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 7293331) 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-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-[(4-methylphenyl)methyl]acetamide
PubChem CID7293331
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-[(4-methylphenyl)methyl]acetamide
SMILESCOCCn1ccc2c(OCC(=O)NCc3ccc(C)cc3)cccc2c1=O
InChIInChI=1S/C22H24N2O4/c1-16-6-8-17(9-7-16)14-23-21(25)15-28-20-5-3-4-19-18(20)10-11-24(22(19)26)12-13-27-2/h3-11H,12-15H2,1-2H3,(H,23,25)
InChIKeyRFFANVOEOPOLAR-UHFFFAOYSA-N
XLogP2.65
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-[(4-methylphenyl)methyl]acetamide (CID 7293331) is 2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-[(4-methylphenyl)methyl]acetamide is COCCn1ccc2c(OCC(=O)NCc3ccc(C)cc3)cccc2c1=O.
What is the InChIKey of 2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is RFFANVOEOPOLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-16-6-8-17(9-7-16)14-23-21(25)15-28-20-5-3-4-19-18(20)10-11-24(22(19)26)12-13-27-2/h3-11H,12-15H2,1-2H3,(H,23,25).
What are the key properties of 2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-[(4-methylphenyl)methyl]acetamide?
2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 380.44 g/mol, XLogP of 2.65, 8 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-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 7293331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).