2-(5-methoxy-1-oxoisoquinolin-2-yl)-N-(2-phenylethyl)acetamide

C20H20N2O3 — CID 2149371

IUPAC2-(5-methoxy-1-oxoisoquinolin-2-yl)-N-(2-phenylethyl)acetamide
SMILESCOc1cccc2c(=O)n(CC(=O)NCCc3ccccc3)ccc12
InChIInChI=1S/C20H20N2O3/c1-25-18-9-5-8-17-16(18)11-13-22(20(17)24)14-19(23)21-12-10-15-6-3-2-4-7-15/h2-9,11,13H,10,12,14H2,1H3,(H,21,23)
InChIKeyIRBBYIIROZAEBD-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.37
Rot. Bonds6

About 2-(5-methoxy-1-oxoisoquinolin-2-yl)-N-(2-phenylethyl)acetamide

2-(5-methoxy-1-oxoisoquinolin-2-yl)-N-(2-phenylethyl)acetamide (PubChem CID 2149371) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-(5-methoxy-1-oxoisoquinolin-2-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(5-methoxy-1-oxoisoquinolin-2-yl)-N-(2-phenylethyl)acetamide
PubChem CID2149371
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name2-(5-methoxy-1-oxoisoquinolin-2-yl)-N-(2-phenylethyl)acetamide
SMILESCOc1cccc2c(=O)n(CC(=O)NCCc3ccccc3)ccc12
InChIInChI=1S/C20H20N2O3/c1-25-18-9-5-8-17-16(18)11-13-22(20(17)24)14-19(23)21-12-10-15-6-3-2-4-7-15/h2-9,11,13H,10,12,14H2,1H3,(H,21,23)
InChIKeyIRBBYIIROZAEBD-UHFFFAOYSA-N
XLogP2.37
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1-oxoisoquinolin-2-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(5-methoxy-1-oxoisoquinolin-2-yl)-N-(2-phenylethyl)acetamide (CID 2149371) is 2-(5-methoxy-1-oxoisoquinolin-2-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(5-methoxy-1-oxoisoquinolin-2-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(5-methoxy-1-oxoisoquinolin-2-yl)-N-(2-phenylethyl)acetamide is COc1cccc2c(=O)n(CC(=O)NCCc3ccccc3)ccc12.
What is the InChIKey of 2-(5-methoxy-1-oxoisoquinolin-2-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is IRBBYIIROZAEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-25-18-9-5-8-17-16(18)11-13-22(20(17)24)14-19(23)21-12-10-15-6-3-2-4-7-15/h2-9,11,13H,10,12,14H2,1H3,(H,21,23).
What are the key properties of 2-(5-methoxy-1-oxoisoquinolin-2-yl)-N-(2-phenylethyl)acetamide?
2-(5-methoxy-1-oxoisoquinolin-2-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 336.39 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1-oxoisoquinolin-2-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 2149371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).