2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C18H22N2O4 — CID 7293148

IUPAC2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCCn1ccc2c(OCC(=O)NC[C@@H]3CCCO3)cccc2c1=O
InChIInChI=1S/C18H22N2O4/c1-2-20-9-8-14-15(18(20)22)6-3-7-16(14)24-12-17(21)19-11-13-5-4-10-23-13/h3,6-9,13H,2,4-5,10-12H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyPOMRFWQBWPAVHC-ZDUSSCGKSA-N
MW330.38 g/mol
LogP1.70
Rot. Bonds6

About 2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 7293148) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID7293148
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCCn1ccc2c(OCC(=O)NC[C@@H]3CCCO3)cccc2c1=O
InChIInChI=1S/C18H22N2O4/c1-2-20-9-8-14-15(18(20)22)6-3-7-16(14)24-12-17(21)19-11-13-5-4-10-23-13/h3,6-9,13H,2,4-5,10-12H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyPOMRFWQBWPAVHC-ZDUSSCGKSA-N
XLogP1.70
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7293149
N-(oxolan-2-ylmethyl)-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide
CID 43985264
2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(oxolan-2-ylmethyl)acetamide
CID 43985196
2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-methylacetamide
CID 7293155
2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-prop-2-enylacetamide
CID 18575801
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
2-(2-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 717198
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 1-ethylindole-3-carboxylate
CID 42890150
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,6-dimethoxybenzoate
CID 23910544
4-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]benzoic acid
CID 60698794

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 7293148) is 2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide is CCn1ccc2c(OCC(=O)NC[C@@H]3CCCO3)cccc2c1=O.
What is the InChIKey of 2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is POMRFWQBWPAVHC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-2-20-9-8-14-15(18(20)22)6-3-7-16(14)24-12-17(21)19-11-13-5-4-10-23-13/h3,6-9,13H,2,4-5,10-12H2,1H3,(H,19,21)/t13-/m0/s1.
What are the key properties of 2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 330.38 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 7293148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).