2-(4-acetyl-1H-isoquinolin-2-yl)acetamide

C13H14N2O2 — CID 20802848

IUPAC2-(4-acetyl-1H-isoquinolin-2-yl)acetamide
SMILESCC(=O)C1=CN(CC(N)=O)Cc2ccccc21
InChIInChI=1S/C13H14N2O2/c1-9(16)12-7-15(8-13(14)17)6-10-4-2-3-5-11(10)12/h2-5,7H,6,8H2,1H3,(H2,14,17)
InChIKeySNKDWPWLDQDVOI-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.92
Rot. Bonds3

About 2-(4-acetyl-1H-isoquinolin-2-yl)acetamide

2-(4-acetyl-1H-isoquinolin-2-yl)acetamide (PubChem CID 20802848) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(4-acetyl-1H-isoquinolin-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-acetyl-1H-isoquinolin-2-yl)acetamide
PubChem CID20802848
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-(4-acetyl-1H-isoquinolin-2-yl)acetamide
SMILESCC(=O)C1=CN(CC(N)=O)Cc2ccccc21
InChIInChI=1S/C13H14N2O2/c1-9(16)12-7-15(8-13(14)17)6-10-4-2-3-5-11(10)12/h2-5,7H,6,8H2,1H3,(H2,14,17)
InChIKeySNKDWPWLDQDVOI-UHFFFAOYSA-N
XLogP0.92
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-1H-isoquinolin-2-yl)acetamide?
The IUPAC name of 2-(4-acetyl-1H-isoquinolin-2-yl)acetamide (CID 20802848) is 2-(4-acetyl-1H-isoquinolin-2-yl)acetamide.
What is the SMILES notation for 2-(4-acetyl-1H-isoquinolin-2-yl)acetamide?
The canonical SMILES for 2-(4-acetyl-1H-isoquinolin-2-yl)acetamide is CC(=O)C1=CN(CC(N)=O)Cc2ccccc21.
What is the InChIKey of 2-(4-acetyl-1H-isoquinolin-2-yl)acetamide?
The InChIKey is SNKDWPWLDQDVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9(16)12-7-15(8-13(14)17)6-10-4-2-3-5-11(10)12/h2-5,7H,6,8H2,1H3,(H2,14,17).
What are the key properties of 2-(4-acetyl-1H-isoquinolin-2-yl)acetamide?
2-(4-acetyl-1H-isoquinolin-2-yl)acetamide has a molecular weight of 230.27 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-1H-isoquinolin-2-yl)acetamide is sourced from PubChem (CID 20802848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).