2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-phenylacetamide

C18H16N2O3 — CID 7293077

IUPAC2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-phenylacetamide
SMILESCn1ccc2c(OCC(=O)Nc3ccccc3)cccc2c1=O
InChIInChI=1S/C18H16N2O3/c1-20-11-10-14-15(18(20)22)8-5-9-16(14)23-12-17(21)19-13-6-3-2-4-7-13/h2-11H,12H2,1H3,(H,19,21)
InChIKeyOLFYNQLUNHLOJX-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.56
Rot. Bonds4

About 2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-phenylacetamide

2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-phenylacetamide (PubChem CID 7293077) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-phenylacetamide.

Molecular Properties

Compound Name2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-phenylacetamide
PubChem CID7293077
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-phenylacetamide
SMILESCn1ccc2c(OCC(=O)Nc3ccccc3)cccc2c1=O
InChIInChI=1S/C18H16N2O3/c1-20-11-10-14-15(18(20)22)8-5-9-16(14)23-12-17(21)19-13-6-3-2-4-7-13/h2-11H,12H2,1H3,(H,19,21)
InChIKeyOLFYNQLUNHLOJX-UHFFFAOYSA-N
XLogP2.56
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(4-methylphenyl)acetamide
CID 43985187
N-(3,4-dichlorophenyl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293114
N-(3-chloro-4-methylphenyl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293115
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293099
2-methyl-5-(2-oxopropoxy)isoquinolin-1-one
CID 43985489
2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293076
N-[(2-chlorophenyl)methyl]-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293123
N-cyclopentyl-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293095
ethyl 2-[[2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetyl]amino]acetate
CID 43985195
N-(3-acetamidophenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
CID 7293322
methyl 4-[[2-[2-(2-ethoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetyl]amino]benzoate
CID 16803082
2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(oxolan-2-ylmethyl)acetamide
CID 43985196

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-phenylacetamide?
The IUPAC name of 2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-phenylacetamide (CID 7293077) is 2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-phenylacetamide.
What is the SMILES notation for 2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-phenylacetamide?
The canonical SMILES for 2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-phenylacetamide is Cn1ccc2c(OCC(=O)Nc3ccccc3)cccc2c1=O.
What is the InChIKey of 2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-phenylacetamide?
The InChIKey is OLFYNQLUNHLOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-20-11-10-14-15(18(20)22)8-5-9-16(14)23-12-17(21)19-13-6-3-2-4-7-13/h2-11H,12H2,1H3,(H,19,21).
What are the key properties of 2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-phenylacetamide?
2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-phenylacetamide has a molecular weight of 308.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-phenylacetamide is sourced from PubChem (CID 7293077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).