methyl 2-[2-(2-morpholin-4-yl-2-oxoethyl)-1-oxoisoquinolin-5-yl]oxyacetate

C18H20N2O6 — CID 5215489

IUPACmethyl 2-[2-(2-morpholin-4-yl-2-oxoethyl)-1-oxoisoquinolin-5-yl]oxyacetate
SMILESCOC(=O)COc1cccc2c(=O)n(CC(=O)N3CCOCC3)ccc12
InChIInChI=1S/C18H20N2O6/c1-24-17(22)12-26-15-4-2-3-14-13(15)5-6-20(18(14)23)11-16(21)19-7-9-25-10-8-19/h2-6H,7-12H2,1H3
InChIKeyJZJOIDRHKGLTOX-UHFFFAOYSA-N
MW360.37 g/mol
LogP0.41
Rot. Bonds5

About methyl 2-[2-(2-morpholin-4-yl-2-oxoethyl)-1-oxoisoquinolin-5-yl]oxyacetate

methyl 2-[2-(2-morpholin-4-yl-2-oxoethyl)-1-oxoisoquinolin-5-yl]oxyacetate (PubChem CID 5215489) has the molecular formula C18H20N2O6 and a molecular weight of 360.37 g/mol. Its IUPAC name is methyl 2-[2-(2-morpholin-4-yl-2-oxoethyl)-1-oxoisoquinolin-5-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[2-(2-morpholin-4-yl-2-oxoethyl)-1-oxoisoquinolin-5-yl]oxyacetate
PubChem CID5215489
Molecular FormulaC18H20N2O6
Molecular Weight360.37 g/mol
Exact Mass360.13
IUPAC Namemethyl 2-[2-(2-morpholin-4-yl-2-oxoethyl)-1-oxoisoquinolin-5-yl]oxyacetate
SMILESCOC(=O)COc1cccc2c(=O)n(CC(=O)N3CCOCC3)ccc12
InChIInChI=1S/C18H20N2O6/c1-24-17(22)12-26-15-4-2-3-14-13(15)5-6-20(18(14)23)11-16(21)19-7-9-25-10-8-19/h2-6H,7-12H2,1H3
InChIKeyJZJOIDRHKGLTOX-UHFFFAOYSA-N
XLogP0.41
TPSA87.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
CID 2149525
methyl 2-[2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
CID 4293895
1-morpholin-4-yl-2-naphthalen-1-yloxyethanone
CID 954548
ethyl 2-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
CID 2149417
ethyl 2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
CID 2149376
2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-methylacetamide
CID 7293155
ethyl 2-[2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
CID 2149405
N-methyl-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide
CID 7293222
2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7293149
2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7293148
N-(1,3-benzodioxol-5-yl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
CID 7293316
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide
CID 7293213

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-morpholin-4-yl-2-oxoethyl)-1-oxoisoquinolin-5-yl]oxyacetate?
The IUPAC name of methyl 2-[2-(2-morpholin-4-yl-2-oxoethyl)-1-oxoisoquinolin-5-yl]oxyacetate (CID 5215489) is methyl 2-[2-(2-morpholin-4-yl-2-oxoethyl)-1-oxoisoquinolin-5-yl]oxyacetate.
What is the SMILES notation for methyl 2-[2-(2-morpholin-4-yl-2-oxoethyl)-1-oxoisoquinolin-5-yl]oxyacetate?
The canonical SMILES for methyl 2-[2-(2-morpholin-4-yl-2-oxoethyl)-1-oxoisoquinolin-5-yl]oxyacetate is COC(=O)COc1cccc2c(=O)n(CC(=O)N3CCOCC3)ccc12.
What is the InChIKey of methyl 2-[2-(2-morpholin-4-yl-2-oxoethyl)-1-oxoisoquinolin-5-yl]oxyacetate?
The InChIKey is JZJOIDRHKGLTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6/c1-24-17(22)12-26-15-4-2-3-14-13(15)5-6-20(18(14)23)11-16(21)19-7-9-25-10-8-19/h2-6H,7-12H2,1H3.
What are the key properties of methyl 2-[2-(2-morpholin-4-yl-2-oxoethyl)-1-oxoisoquinolin-5-yl]oxyacetate?
methyl 2-[2-(2-morpholin-4-yl-2-oxoethyl)-1-oxoisoquinolin-5-yl]oxyacetate has a molecular weight of 360.37 g/mol, XLogP of 0.41, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-morpholin-4-yl-2-oxoethyl)-1-oxoisoquinolin-5-yl]oxyacetate is sourced from PubChem (CID 5215489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).