N-(5-chloro-2-methoxyphenyl)-2-(2-ethyl-1-oxoisoquinolin-5-yl)oxyacetamide

C20H19ClN2O4 — CID 7293166

IUPACN-(5-chloro-2-methoxyphenyl)-2-(2-ethyl-1-oxoisoquinolin-5-yl)oxyacetamide
SMILESCCn1ccc2c(OCC(=O)Nc3cc(Cl)ccc3OC)cccc2c1=O
InChIInChI=1S/C20H19ClN2O4/c1-3-23-10-9-14-15(20(23)25)5-4-6-17(14)27-12-19(24)22-16-11-13(21)7-8-18(16)26-2/h4-11H,3,12H2,1-2H3,(H,22,24)
InChIKeyJUFQOVNOYUGVHB-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.70
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-2-(2-ethyl-1-oxoisoquinolin-5-yl)oxyacetamide

N-(5-chloro-2-methoxyphenyl)-2-(2-ethyl-1-oxoisoquinolin-5-yl)oxyacetamide (PubChem CID 7293166) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(2-ethyl-1-oxoisoquinolin-5-yl)oxyacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(2-ethyl-1-oxoisoquinolin-5-yl)oxyacetamide
PubChem CID7293166
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(2-ethyl-1-oxoisoquinolin-5-yl)oxyacetamide
SMILESCCn1ccc2c(OCC(=O)Nc3cc(Cl)ccc3OC)cccc2c1=O
InChIInChI=1S/C20H19ClN2O4/c1-3-23-10-9-14-15(20(23)25)5-4-6-17(14)27-12-19(24)22-16-11-13(21)7-8-18(16)26-2/h4-11H,3,12H2,1-2H3,(H,22,24)
InChIKeyJUFQOVNOYUGVHB-UHFFFAOYSA-N
XLogP3.70
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-methylacetamide
CID 7293155
N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenoxy)acetamide
CID 870474
N-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenoxy)acetamide
CID 2326605
N-(3,4-dimethoxyphenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
CID 7293315
N-(2,4-dimethoxyphenyl)-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide
CID 7293259
2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-prop-2-enylacetamide
CID 18575801
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
CID 43985351
N-[3-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]phenyl]propanamide
CID 18870278
2-(3-butoxyphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 4733171
N-(5-chloro-2-methoxyphenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 22777920
N-(2-ethoxyphenyl)-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide
CID 7293257
N-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenoxy)acetamide
CID 2710232

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(2-ethyl-1-oxoisoquinolin-5-yl)oxyacetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(2-ethyl-1-oxoisoquinolin-5-yl)oxyacetamide (CID 7293166) is N-(5-chloro-2-methoxyphenyl)-2-(2-ethyl-1-oxoisoquinolin-5-yl)oxyacetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(2-ethyl-1-oxoisoquinolin-5-yl)oxyacetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(2-ethyl-1-oxoisoquinolin-5-yl)oxyacetamide is CCn1ccc2c(OCC(=O)Nc3cc(Cl)ccc3OC)cccc2c1=O.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(2-ethyl-1-oxoisoquinolin-5-yl)oxyacetamide?
The InChIKey is JUFQOVNOYUGVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-3-23-10-9-14-15(20(23)25)5-4-6-17(14)27-12-19(24)22-16-11-13(21)7-8-18(16)26-2/h4-11H,3,12H2,1-2H3,(H,22,24).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(2-ethyl-1-oxoisoquinolin-5-yl)oxyacetamide?
N-(5-chloro-2-methoxyphenyl)-2-(2-ethyl-1-oxoisoquinolin-5-yl)oxyacetamide has a molecular weight of 386.84 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(2-ethyl-1-oxoisoquinolin-5-yl)oxyacetamide is sourced from PubChem (CID 7293166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).