2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2-hydroxyethyl)acetamide

C15H18N2O3 — CID 78819865

IUPAC2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2-hydroxyethyl)acetamide
SMILESCC(=O)N1C=Cc2ccccc2C1CC(=O)NCCO
InChIInChI=1S/C15H18N2O3/c1-11(19)17-8-6-12-4-2-3-5-13(12)14(17)10-15(20)16-7-9-18/h2-6,8,14,18H,7,9-10H2,1H3,(H,16,20)
InChIKeyILRXKZIAIPWCHF-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.06
Rot. Bonds4

About 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2-hydroxyethyl)acetamide

2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2-hydroxyethyl)acetamide (PubChem CID 78819865) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2-hydroxyethyl)acetamide
PubChem CID78819865
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2-hydroxyethyl)acetamide
SMILESCC(=O)N1C=Cc2ccccc2C1CC(=O)NCCO
InChIInChI=1S/C15H18N2O3/c1-11(19)17-8-6-12-4-2-3-5-13(12)14(17)10-15(20)16-7-9-18/h2-6,8,14,18H,7,9-10H2,1H3,(H,16,20)
InChIKeyILRXKZIAIPWCHF-UHFFFAOYSA-N
XLogP1.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-acetyl-1H-isoquinolin-1-yl)-N-(3-hydroxypropyl)acetamide
CID 78854714
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(3-aminobutyl)acetamide;hydrochloride
CID 119260378
5-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]pentanoic acid
CID 119234430
2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-phenylsulfanylethyl)acetamide
CID 8529460
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-phenylacetamide
CID 8870960
2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-(N-methylanilino)butyl]acetamide
CID 60566558
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide
CID 8963976
2-(2-acetyl-1H-isoquinolin-1-yl)-N-pentan-3-ylacetamide
CID 134044607
2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 29261700
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(3-ethyl-2-hydroxypentyl)acetamide
CID 111115927
2-(2-acetyl-1H-isoquinolin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 51317292
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 51238433

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2-hydroxyethyl)acetamide (CID 78819865) is 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2-hydroxyethyl)acetamide is CC(=O)N1C=Cc2ccccc2C1CC(=O)NCCO.
What is the InChIKey of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2-hydroxyethyl)acetamide?
The InChIKey is ILRXKZIAIPWCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-11(19)17-8-6-12-4-2-3-5-13(12)14(17)10-15(20)16-7-9-18/h2-6,8,14,18H,7,9-10H2,1H3,(H,16,20).
What are the key properties of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2-hydroxyethyl)acetamide?
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2-hydroxyethyl)acetamide has a molecular weight of 274.32 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 78819865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).