N-(3-acetamidophenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide

C22H23N3O5 — CID 7293322

IUPACN-(3-acetamidophenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
SMILESCOCCn1ccc2c(OCC(=O)Nc3cccc(NC(C)=O)c3)cccc2c1=O
InChIInChI=1S/C22H23N3O5/c1-15(26)23-16-5-3-6-17(13-16)24-21(27)14-30-20-8-4-7-19-18(20)9-10-25(22(19)28)11-12-29-2/h3-10,13H,11-12,14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyYFLOVTAMZPZCBR-UHFFFAOYSA-N
MW409.44 g/mol
LogP2.62
Rot. Bonds8

About N-(3-acetamidophenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide

N-(3-acetamidophenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide (PubChem CID 7293322) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
PubChem CID7293322
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC NameN-(3-acetamidophenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
SMILESCOCCn1ccc2c(OCC(=O)Nc3cccc(NC(C)=O)c3)cccc2c1=O
InChIInChI=1S/C22H23N3O5/c1-15(26)23-16-5-3-6-17(13-16)24-21(27)14-30-20-8-4-7-19-18(20)9-10-25(22(19)28)11-12-29-2/h3-10,13H,11-12,14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyYFLOVTAMZPZCBR-UHFFFAOYSA-N
XLogP2.62
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-acetamidophenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dimethoxyphenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
CID 7293315
N-(1,3-benzodioxol-5-yl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
CID 7293316
2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-propylacetamide
CID 7293336
methyl 4-[[2-[2-(2-ethoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetyl]amino]benzoate
CID 16803082
2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-phenylacetamide
CID 7293077
N-(3,4-dichlorophenyl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293114
2-[2-(2-ethoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7293380
2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]acetamide
CID 121238954
N-methyl-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide
CID 7293222
2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-[1-(3-methylbutyl)indol-5-yl]acetamide
CID 121240182
2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(4-methylphenyl)acetamide
CID 43985187
N-(3-acetamidophenyl)-1-(2-methoxyethyl)indole-4-carboxamide
CID 71702506

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide (CID 7293322) is N-(3-acetamidophenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide is COCCn1ccc2c(OCC(=O)Nc3cccc(NC(C)=O)c3)cccc2c1=O.
What is the InChIKey of N-(3-acetamidophenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide?
The InChIKey is YFLOVTAMZPZCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-15(26)23-16-5-3-6-17(13-16)24-21(27)14-30-20-8-4-7-19-18(20)9-10-25(22(19)28)11-12-29-2/h3-10,13H,11-12,14H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-(3-acetamidophenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide?
N-(3-acetamidophenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide has a molecular weight of 409.44 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide is sourced from PubChem (CID 7293322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).