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

C20H22N2O5 — CID 3480608

IUPACN-(2,4-dimethoxyphenyl)-2-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide
SMILESCOc1ccc(NC(=O)COc2cccc3c2CCN(C)C3=O)c(OC)c1
InChIInChI=1S/C20H22N2O5/c1-22-10-9-14-15(20(22)24)5-4-6-17(14)27-12-19(23)21-16-8-7-13(25-2)11-18(16)26-3/h4-8,11H,9-10,12H2,1-3H3,(H,21,23)
InChIKeySTQTZNXFMQPQKX-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.35
Rot. Bonds6

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

N-(2,4-dimethoxyphenyl)-2-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide (PubChem CID 3480608) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide
PubChem CID3480608
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide
SMILESCOc1ccc(NC(=O)COc2cccc3c2CCN(C)C3=O)c(OC)c1
InChIInChI=1S/C20H22N2O5/c1-22-10-9-14-15(20(22)24)5-4-6-17(14)27-12-19(23)21-16-8-7-13(25-2)11-18(16)26-3/h4-8,11H,9-10,12H2,1-3H3,(H,21,23)
InChIKeySTQTZNXFMQPQKX-UHFFFAOYSA-N
XLogP2.35
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide (CID 3480608) is N-(2,4-dimethoxyphenyl)-2-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide is COc1ccc(NC(=O)COc2cccc3c2CCN(C)C3=O)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide?
The InChIKey is STQTZNXFMQPQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-22-10-9-14-15(20(22)24)5-4-6-17(14)27-12-19(23)21-16-8-7-13(25-2)11-18(16)26-3/h4-8,11H,9-10,12H2,1-3H3,(H,21,23).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide?
N-(2,4-dimethoxyphenyl)-2-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide has a molecular weight of 370.41 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide is sourced from PubChem (CID 3480608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).