N-methyl-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide

C15H18N2O3 — CID 7293222

IUPACN-methyl-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide
SMILESCCCn1ccc2c(OCC(=O)NC)cccc2c1=O
InChIInChI=1S/C15H18N2O3/c1-3-8-17-9-7-11-12(15(17)19)5-4-6-13(11)20-10-14(18)16-2/h4-7,9H,3,8,10H2,1-2H3,(H,16,18)
InChIKeyJEXCQYXSLZPNAH-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.54
Rot. Bonds5

About N-methyl-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide

N-methyl-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide (PubChem CID 7293222) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-methyl-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide.

Molecular Properties

Compound NameN-methyl-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide
PubChem CID7293222
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-methyl-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide
SMILESCCCn1ccc2c(OCC(=O)NC)cccc2c1=O
InChIInChI=1S/C15H18N2O3/c1-3-8-17-9-7-11-12(15(17)19)5-4-6-13(11)20-10-14(18)16-2/h4-7,9H,3,8,10H2,1-2H3,(H,16,18)
InChIKeyJEXCQYXSLZPNAH-UHFFFAOYSA-N
XLogP1.54
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-methylacetamide
CID 7293155
N-[(2-chlorophenyl)methyl]-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide
CID 7293243
2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-propylacetamide
CID 7293336
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide
CID 7293213
N-(oxolan-2-ylmethyl)-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide
CID 43985264
5-prop-2-enoxy-2-propylisoquinolin-1-one
CID 43985528
2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxy-N-propylacetamide
CID 43985309
2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-prop-2-enylacetamide
CID 18575801
5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-propylisoquinolin-1-one
CID 7293171
2-[2-(2-ethoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7293380
methyl 4-[[2-[2-(2-ethoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetyl]amino]benzoate
CID 16803082
N-(3-acetamidophenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
CID 7293322

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide?
The IUPAC name of N-methyl-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide (CID 7293222) is N-methyl-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide.
What is the SMILES notation for N-methyl-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide?
The canonical SMILES for N-methyl-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide is CCCn1ccc2c(OCC(=O)NC)cccc2c1=O.
What is the InChIKey of N-methyl-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide?
The InChIKey is JEXCQYXSLZPNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-8-17-9-7-11-12(15(17)19)5-4-6-13(11)20-10-14(18)16-2/h4-7,9H,3,8,10H2,1-2H3,(H,16,18).
What are the key properties of N-methyl-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide?
N-methyl-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide has a molecular weight of 274.32 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide is sourced from PubChem (CID 7293222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).