2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide

C12H12N2O3 — CID 7293076

IUPAC2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
SMILESCn1ccc2c(OCC(N)=O)cccc2c1=O
InChIInChI=1S/C12H12N2O3/c1-14-6-5-8-9(12(14)16)3-2-4-10(8)17-7-11(13)15/h2-6H,7H2,1H3,(H2,13,15)
InChIKeyBJNFMXUELAKXQR-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.40
Rot. Bonds3

About 2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide

2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide (PubChem CID 7293076) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide.

Molecular Properties

Compound Name2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
PubChem CID7293076
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
SMILESCn1ccc2c(OCC(N)=O)cccc2c1=O
InChIInChI=1S/C12H12N2O3/c1-14-6-5-8-9(12(14)16)3-2-4-10(8)17-7-11(13)15/h2-6H,7H2,1H3,(H2,13,15)
InChIKeyBJNFMXUELAKXQR-UHFFFAOYSA-N
XLogP0.40
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ebalzotan
CID 9797080
3,4-dihydro-5-(4-(1-piperidinyl)butoxy)-1(2H)-isoquinolinone
CID 9948349
5-(2-oxo-2-phenylethoxy)isoquinolin-1(2H)-one
CID 25015515
(R)-3-[Isopropyl(propyl)amino]-3,4-dihydro-2H-1-benzopyran-5-carboxamide
CID 10084845
Ethyl 2-{[2-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-1-oxo-1,2-dihydroisoquinolin-5-yl]oxy}propanoate
CID 3399068
Ethyl 2-[(1-oxo-2-{[(2-phenylethyl)carbamoyl]methyl}-1,2-dihydroisoquinolin-5-yl)oxy]propanoate
CID 4396058
Ethyl 2-({2-[(benzylcarbamoyl)methyl]-1-oxo-1,2-dihydroisoquinolin-5-yl}oxy)propanoate
CID 5079010
5-(2-(4-benzylpiperidin-1-yl)-2-oxoethoxy)-2-methyl-3,4-dihydroisoquinolin-1(2H)-one
CID 2151925
(3R)-3-[cyclopentyl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide
CID 10709505
(R)-3-(Cyclopentyl(propyl)amino)-N-methylchromane-5-carboxamide
CID 10757809
Ethyl 2-[2-(2-amino-2-oxoethyl)-1-oxoisoquinolin-5-yl]oxyacetate
CID 2149378
2-Benzyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-3,4-dihydroisoquinolin-1-one
CID 2151990

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide?
The IUPAC name of 2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide (CID 7293076) is 2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide.
What is the SMILES notation for 2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide?
The canonical SMILES for 2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide is Cn1ccc2c(OCC(N)=O)cccc2c1=O.
What is the InChIKey of 2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide?
The InChIKey is BJNFMXUELAKXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-14-6-5-8-9(12(14)16)3-2-4-10(8)17-7-11(13)15/h2-6H,7H2,1H3,(H2,13,15).
What are the key properties of 2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide?
2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide has a molecular weight of 232.24 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide is sourced from PubChem (CID 7293076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).