2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-methylacetamide

C14H16N2O3 — CID 7293155

IUPAC2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-methylacetamide
SMILESCCn1ccc2c(OCC(=O)NC)cccc2c1=O
InChIInChI=1S/C14H16N2O3/c1-3-16-8-7-10-11(14(16)18)5-4-6-12(10)19-9-13(17)15-2/h4-8H,3,9H2,1-2H3,(H,15,17)
InChIKeyUUUXMCIBVSWUMV-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.15
Rot. Bonds4

About 2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-methylacetamide

2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-methylacetamide (PubChem CID 7293155) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-methylacetamide.

Molecular Properties

Compound Name2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-methylacetamide
PubChem CID7293155
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-methylacetamide
SMILESCCn1ccc2c(OCC(=O)NC)cccc2c1=O
InChIInChI=1S/C14H16N2O3/c1-3-16-8-7-10-11(14(16)18)5-4-6-12(10)19-9-13(17)15-2/h4-8H,3,9H2,1-2H3,(H,15,17)
InChIKeyUUUXMCIBVSWUMV-UHFFFAOYSA-N
XLogP1.15
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide
CID 7293222
2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-prop-2-enylacetamide
CID 18575801
N-(5-chloro-2-methoxyphenyl)-2-(2-ethyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293166
2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7293149
2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7293148
2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxy-N-propylacetamide
CID 43985309
2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-propylacetamide
CID 7293336
N-[(2-chlorophenyl)methyl]-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide
CID 7293243
N-(2-ethoxyphenyl)-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide
CID 7293257
2-ethyl-5-(2-pyrrolidin-1-ylethoxy)isoquinolin-1-one
CID 43985507
2-ethyl-5-(pyridin-2-ylmethoxy)isoquinolin-1-one
CID 18575800
2-[2-(2-ethoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7293380

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-methylacetamide?
The IUPAC name of 2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-methylacetamide (CID 7293155) is 2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-methylacetamide.
What is the SMILES notation for 2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-methylacetamide?
The canonical SMILES for 2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-methylacetamide is CCn1ccc2c(OCC(=O)NC)cccc2c1=O.
What is the InChIKey of 2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-methylacetamide?
The InChIKey is UUUXMCIBVSWUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-16-8-7-10-11(14(16)18)5-4-6-12(10)19-9-13(17)15-2/h4-8H,3,9H2,1-2H3,(H,15,17).
What are the key properties of 2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-methylacetamide?
2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-methylacetamide has a molecular weight of 260.29 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-methylacetamide is sourced from PubChem (CID 7293155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).