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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).