N-(2-methoxyphenyl)-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide

C18H18N2O4 — CID 7385118

IUPACN-(2-methoxyphenyl)-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide
SMILESCOc1ccccc1NC(=O)COc1cccc2c1CCNC2=O
InChIInChI=1S/C18H18N2O4/c1-23-16-7-3-2-6-14(16)20-17(21)11-24-15-8-4-5-13-12(15)9-10-19-18(13)22/h2-8H,9-11H2,1H3,(H,19,22)(H,20,21)
InChIKeyHTGXPFJLSZFOHK-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.00
Rot. Bonds5

About N-(2-methoxyphenyl)-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide

N-(2-methoxyphenyl)-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide (PubChem CID 7385118) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide
PubChem CID7385118
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC NameN-(2-methoxyphenyl)-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide
SMILESCOc1ccccc1NC(=O)COc1cccc2c1CCNC2=O
InChIInChI=1S/C18H18N2O4/c1-23-16-7-3-2-6-14(16)20-17(21)11-24-15-8-4-5-13-12(15)9-10-19-18(13)22/h2-8H,9-11H2,1H3,(H,19,22)(H,20,21)
InChIKeyHTGXPFJLSZFOHK-UHFFFAOYSA-N
XLogP2.00
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-methoxyphenyl)-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide (CID 7385118) is N-(2-methoxyphenyl)-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide is COc1ccccc1NC(=O)COc1cccc2c1CCNC2=O.
What is the InChIKey of N-(2-methoxyphenyl)-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide?
The InChIKey is HTGXPFJLSZFOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-23-16-7-3-2-6-14(16)20-17(21)11-24-15-8-4-5-13-12(15)9-10-19-18(13)22/h2-8H,9-11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-(2-methoxyphenyl)-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide?
N-(2-methoxyphenyl)-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide has a molecular weight of 326.35 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide is sourced from PubChem (CID 7385118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).