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

C19H18N2O3 — CID 43985187

IUPAC2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2cccc3c(=O)n(C)ccc23)cc1
InChIInChI=1S/C19H18N2O3/c1-13-6-8-14(9-7-13)20-18(22)12-24-17-5-3-4-16-15(17)10-11-21(2)19(16)23/h3-11H,12H2,1-2H3,(H,20,22)
InChIKeyRWKNTQSEGXWETA-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.86
Rot. Bonds4

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

2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(4-methylphenyl)acetamide (PubChem CID 43985187) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(4-methylphenyl)acetamide
PubChem CID43985187
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2cccc3c(=O)n(C)ccc23)cc1
InChIInChI=1S/C19H18N2O3/c1-13-6-8-14(9-7-13)20-18(22)12-24-17-5-3-4-16-15(17)10-11-21(2)19(16)23/h3-11H,12H2,1-2H3,(H,20,22)
InChIKeyRWKNTQSEGXWETA-UHFFFAOYSA-N
XLogP2.86
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-phenylacetamide
CID 7293077
N-(3-chloro-4-methylphenyl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293115
N-(3,4-dichlorophenyl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293114
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
ethyl 2-[[2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetyl]amino]acetate
CID 43985195
N-cyclopentyl-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293095
N-[(2-chlorophenyl)methyl]-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293123
methyl 4-[[2-[2-(2-ethoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetyl]amino]benzoate
CID 16803082
N-(3,4-dimethoxyphenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
CID 7293315
2-(2-methoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 675575

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(4-methylphenyl)acetamide (CID 43985187) is 2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)COc2cccc3c(=O)n(C)ccc23)cc1.
What is the InChIKey of 2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(4-methylphenyl)acetamide?
The InChIKey is RWKNTQSEGXWETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-13-6-8-14(9-7-13)20-18(22)12-24-17-5-3-4-16-15(17)10-11-21(2)19(16)23/h3-11H,12H2,1-2H3,(H,20,22).
What are the key properties of 2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(4-methylphenyl)acetamide?
2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(4-methylphenyl)acetamide has a molecular weight of 322.36 g/mol, XLogP of 2.86, 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-(4-methylphenyl)acetamide is sourced from PubChem (CID 43985187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).