2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-propylacetamide

C17H22N2O4 — CID 7293336

IUPAC2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-propylacetamide
SMILESCCCNC(=O)COc1cccc2c(=O)n(CCOC)ccc12
InChIInChI=1S/C17H22N2O4/c1-3-8-18-16(20)12-23-15-6-4-5-14-13(15)7-9-19(17(14)21)10-11-22-2/h4-7,9H,3,8,10-12H2,1-2H3,(H,18,20)
InChIKeyKREGLCZFKWFRMK-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.55
Rot. Bonds8

About 2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-propylacetamide

2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-propylacetamide (PubChem CID 7293336) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-propylacetamide.

Molecular Properties

Compound Name2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-propylacetamide
PubChem CID7293336
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-propylacetamide
SMILESCCCNC(=O)COc1cccc2c(=O)n(CCOC)ccc12
InChIInChI=1S/C17H22N2O4/c1-3-8-18-16(20)12-23-15-6-4-5-14-13(15)7-9-19(17(14)21)10-11-22-2/h4-7,9H,3,8,10-12H2,1-2H3,(H,18,20)
InChIKeyKREGLCZFKWFRMK-UHFFFAOYSA-N
XLogP1.55
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxy-N-propylacetamide
CID 43985309
5-butoxy-2-(2-methoxyethyl)isoquinolin-1-one
CID 43985585
N-(3-acetamidophenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
CID 7293322
N-methyl-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide
CID 7293222
N-(3,4-dimethoxyphenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
CID 7293315
2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-[2-(4-oxoquinazolin-3-yl)ethyl]acetamide
CID 121239049
N-[(2-chlorophenyl)methyl]-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide
CID 7293243
N-(1,3-benzodioxol-5-yl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
CID 7293316
2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-methylacetamide
CID 7293155
methyl 4-[[2-[2-(2-ethoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetyl]amino]benzoate
CID 16803082
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
CID 43985351
2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-prop-2-enylacetamide
CID 18575801

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-propylacetamide?
The IUPAC name of 2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-propylacetamide (CID 7293336) is 2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-propylacetamide.
What is the SMILES notation for 2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-propylacetamide?
The canonical SMILES for 2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-propylacetamide is CCCNC(=O)COc1cccc2c(=O)n(CCOC)ccc12.
What is the InChIKey of 2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-propylacetamide?
The InChIKey is KREGLCZFKWFRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-3-8-18-16(20)12-23-15-6-4-5-14-13(15)7-9-19(17(14)21)10-11-22-2/h4-7,9H,3,8,10-12H2,1-2H3,(H,18,20).
What are the key properties of 2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-propylacetamide?
2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-propylacetamide has a molecular weight of 318.37 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-propylacetamide is sourced from PubChem (CID 7293336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).