2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(oxolan-2-ylmethyl)acetamide

C17H20N2O4 — CID 43985196

IUPAC2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(oxolan-2-ylmethyl)acetamide
SMILESCn1ccc2c(OCC(=O)NCC3CCCO3)cccc2c1=O
InChIInChI=1S/C17H20N2O4/c1-19-8-7-13-14(17(19)21)5-2-6-15(13)23-11-16(20)18-10-12-4-3-9-22-12/h2,5-8,12H,3-4,9-11H2,1H3,(H,18,20)
InChIKeyVYPBPKDJYULSID-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.21
Rot. Bonds5

About 2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(oxolan-2-ylmethyl)acetamide

2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 43985196) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(oxolan-2-ylmethyl)acetamide
PubChem CID43985196
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(oxolan-2-ylmethyl)acetamide
SMILESCn1ccc2c(OCC(=O)NCC3CCCO3)cccc2c1=O
InChIInChI=1S/C17H20N2O4/c1-19-8-7-13-14(17(19)21)5-2-6-15(13)23-11-16(20)18-10-12-4-3-9-22-12/h2,5-8,12H,3-4,9-11H2,1H3,(H,18,20)
InChIKeyVYPBPKDJYULSID-UHFFFAOYSA-N
XLogP1.21
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxolan-2-ylmethyl)-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide
CID 43985264
2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7293148
2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7293149
2-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]benzoic acid
CID 82810102
N-(oxolan-2-ylmethyl)-2-(2-phenylphenoxy)acetamide
CID 18168438
2-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]acetic acid
CID 80721764
ethyl 2-[[2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetyl]amino]acetate
CID 43985195
N-[(2-chlorophenyl)methyl]-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293123
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293099
2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-phenylacetamide
CID 7293077
2-methyl-5-(2-oxopropoxy)isoquinolin-1-one
CID 43985489
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,6-dimethoxybenzoate
CID 23910544

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(oxolan-2-ylmethyl)acetamide (CID 43985196) is 2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(oxolan-2-ylmethyl)acetamide is Cn1ccc2c(OCC(=O)NCC3CCCO3)cccc2c1=O.
What is the InChIKey of 2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is VYPBPKDJYULSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-19-8-7-13-14(17(19)21)5-2-6-15(13)23-11-16(20)18-10-12-4-3-9-22-12/h2,5-8,12H,3-4,9-11H2,1H3,(H,18,20).
What are the key properties of 2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(oxolan-2-ylmethyl)acetamide?
2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 316.36 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 43985196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).