ethyl 2-[[2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetyl]amino]acetate

C16H18N2O5 — CID 43985195

IUPACethyl 2-[[2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)COc1cccc2c(=O)n(C)ccc12
InChIInChI=1S/C16H18N2O5/c1-3-22-15(20)9-17-14(19)10-23-13-6-4-5-12-11(13)7-8-18(2)16(12)21/h4-8H,3,9-10H2,1-2H3,(H,17,19)
InChIKeyZIEHHLAQYWVVTG-UHFFFAOYSA-N
MW318.33 g/mol
LogP0.60
Rot. Bonds6

About ethyl 2-[[2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetyl]amino]acetate

ethyl 2-[[2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetyl]amino]acetate (PubChem CID 43985195) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is ethyl 2-[[2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetyl]amino]acetate
PubChem CID43985195
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Nameethyl 2-[[2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)COc1cccc2c(=O)n(C)ccc12
InChIInChI=1S/C16H18N2O5/c1-3-22-15(20)9-17-14(19)10-23-13-6-4-5-12-11(13)7-8-18(2)16(12)21/h4-8H,3,9-10H2,1-2H3,(H,17,19)
InChIKeyZIEHHLAQYWVVTG-UHFFFAOYSA-N
XLogP0.60
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293076
N-[(2-chlorophenyl)methyl]-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293123
2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(4-methylphenyl)acetamide
CID 43985187
2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-phenylacetamide
CID 7293077
2-methyl-5-(2-oxopropoxy)isoquinolin-1-one
CID 43985489
N-cyclopentyl-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293095
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293099
ethyl 2-[[2-(2-aminophenoxy)acetyl]amino]acetate
CID 60812238
2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(oxolan-2-ylmethyl)acetamide
CID 43985196
N-(3-chloro-4-methylphenyl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293115
N-(3,4-dichlorophenyl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293114
ethyl 2-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
CID 2149417

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetyl]amino]acetate (CID 43985195) is ethyl 2-[[2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetyl]amino]acetate is CCOC(=O)CNC(=O)COc1cccc2c(=O)n(C)ccc12.
What is the InChIKey of ethyl 2-[[2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetyl]amino]acetate?
The InChIKey is ZIEHHLAQYWVVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-3-22-15(20)9-17-14(19)10-23-13-6-4-5-12-11(13)7-8-18(2)16(12)21/h4-8H,3,9-10H2,1-2H3,(H,17,19).
What are the key properties of ethyl 2-[[2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetyl]amino]acetate?
ethyl 2-[[2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetyl]amino]acetate has a molecular weight of 318.33 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetyl]amino]acetate is sourced from PubChem (CID 43985195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).