2-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(3-methylphenyl)acetamide

C19H20N2O3 — CID 2151930

IUPAC2-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)COc2cccc3c2CCN(C)C3=O)c1
InChIInChI=1S/C19H20N2O3/c1-13-5-3-6-14(11-13)20-18(22)12-24-17-8-4-7-16-15(17)9-10-21(2)19(16)23/h3-8,11H,9-10,12H2,1-2H3,(H,20,22)
InChIKeyCOYIALONBQKTAS-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.64
Rot. Bonds4

About 2-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(3-methylphenyl)acetamide

2-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(3-methylphenyl)acetamide (PubChem CID 2151930) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(3-methylphenyl)acetamide
PubChem CID2151930
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)COc2cccc3c2CCN(C)C3=O)c1
InChIInChI=1S/C19H20N2O3/c1-13-5-3-6-14(11-13)20-18(22)12-24-17-8-4-7-16-15(17)9-10-21(2)19(16)23/h3-8,11H,9-10,12H2,1-2H3,(H,20,22)
InChIKeyCOYIALONBQKTAS-UHFFFAOYSA-N
XLogP2.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(3-methylphenyl)acetamide (CID 2151930) is 2-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)COc2cccc3c2CCN(C)C3=O)c1.
What is the InChIKey of 2-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(3-methylphenyl)acetamide?
The InChIKey is COYIALONBQKTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13-5-3-6-14(11-13)20-18(22)12-24-17-8-4-7-16-15(17)9-10-21(2)19(16)23/h3-8,11H,9-10,12H2,1-2H3,(H,20,22).
What are the key properties of 2-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(3-methylphenyl)acetamide?
2-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(3-methylphenyl)acetamide has a molecular weight of 324.38 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 2151930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).