2-[(1-oxo-2H-isoquinolin-5-yl)oxy]-N-(2-phenylethyl)acetamide

C19H18N2O3 — CID 43985426

IUPAC2-[(1-oxo-2H-isoquinolin-5-yl)oxy]-N-(2-phenylethyl)acetamide
SMILESO=C(COc1cccc2c(=O)[nH]ccc12)NCCc1ccccc1
InChIInChI=1S/C19H18N2O3/c22-18(20-11-9-14-5-2-1-3-6-14)13-24-17-8-4-7-16-15(17)10-12-21-19(16)23/h1-8,10,12H,9,11,13H2,(H,20,22)(H,21,23)
InChIKeyODUAUZNRERWSJR-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.27
Rot. Bonds6

About 2-[(1-oxo-2H-isoquinolin-5-yl)oxy]-N-(2-phenylethyl)acetamide

2-[(1-oxo-2H-isoquinolin-5-yl)oxy]-N-(2-phenylethyl)acetamide (PubChem CID 43985426) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-[(1-oxo-2H-isoquinolin-5-yl)oxy]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(1-oxo-2H-isoquinolin-5-yl)oxy]-N-(2-phenylethyl)acetamide
PubChem CID43985426
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2-[(1-oxo-2H-isoquinolin-5-yl)oxy]-N-(2-phenylethyl)acetamide
SMILESO=C(COc1cccc2c(=O)[nH]ccc12)NCCc1ccccc1
InChIInChI=1S/C19H18N2O3/c22-18(20-11-9-14-5-2-1-3-6-14)13-24-17-8-4-7-16-15(17)10-12-21-19(16)23/h1-8,10,12H,9,11,13H2,(H,20,22)(H,21,23)
InChIKeyODUAUZNRERWSJR-UHFFFAOYSA-N
XLogP2.27
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-indol-4-yloxy)-N-(2-phenylethyl)acetamide
CID 42506850
N-tert-butyl-2-[(1-oxo-2H-isoquinolin-5-yl)oxy]acetamide
CID 43985442
N-(4-ethylphenyl)-2-[(1-oxo-2H-isoquinolin-5-yl)oxy]acetamide
CID 43985399
N-[2-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 748766
2-[(2-oxo-1H-quinolin-8-yl)oxy]-N-(2-phenylethyl)acetamide
CID 82108249
N-(3-chloro-4-methylphenyl)-2-[(1-oxo-2H-isoquinolin-5-yl)oxy]acetamide
CID 43985456
N-[2-(4-fluorophenyl)ethyl]-2-(2-iodophenoxy)acetamide
CID 38878415
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7700300
2-[2-oxo-2-(2-phenylethylamino)ethoxy]-N-phenylbenzamide
CID 2535242
5-[2-(4-methoxyphenyl)ethoxy]-2H-isoquinolin-1-one
CID 69345133
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-fluorophenoxy)acetate
CID 7842405
2-(2,3-dichlorophenoxy)-N-(3-phenylpropyl)acetamide
CID 8604337

Frequently Asked Questions

What is the IUPAC name of 2-[(1-oxo-2H-isoquinolin-5-yl)oxy]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(1-oxo-2H-isoquinolin-5-yl)oxy]-N-(2-phenylethyl)acetamide (CID 43985426) is 2-[(1-oxo-2H-isoquinolin-5-yl)oxy]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(1-oxo-2H-isoquinolin-5-yl)oxy]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(1-oxo-2H-isoquinolin-5-yl)oxy]-N-(2-phenylethyl)acetamide is O=C(COc1cccc2c(=O)[nH]ccc12)NCCc1ccccc1.
What is the InChIKey of 2-[(1-oxo-2H-isoquinolin-5-yl)oxy]-N-(2-phenylethyl)acetamide?
The InChIKey is ODUAUZNRERWSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-18(20-11-9-14-5-2-1-3-6-14)13-24-17-8-4-7-16-15(17)10-12-21-19(16)23/h1-8,10,12H,9,11,13H2,(H,20,22)(H,21,23).
What are the key properties of 2-[(1-oxo-2H-isoquinolin-5-yl)oxy]-N-(2-phenylethyl)acetamide?
2-[(1-oxo-2H-isoquinolin-5-yl)oxy]-N-(2-phenylethyl)acetamide has a molecular weight of 322.36 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-oxo-2H-isoquinolin-5-yl)oxy]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 43985426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).