2-(dimethylamino)-N-(3-oxo-2H-isoquinolin-6-yl)acetamide

C13H15N3O2 — CID 87608450

IUPAC2-(dimethylamino)-N-(3-oxo-2H-isoquinolin-6-yl)acetamide
SMILESCN(C)CC(=O)Nc1ccc2c[nH]c(=O)cc2c1
InChIInChI=1S/C13H15N3O2/c1-16(2)8-13(18)15-11-4-3-9-7-14-12(17)6-10(9)5-11/h3-7H,8H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyZBKUSHRAZZMOTL-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.03
Rot. Bonds3

About 2-(dimethylamino)-N-(3-oxo-2H-isoquinolin-6-yl)acetamide

2-(dimethylamino)-N-(3-oxo-2H-isoquinolin-6-yl)acetamide (PubChem CID 87608450) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(3-oxo-2H-isoquinolin-6-yl)acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(3-oxo-2H-isoquinolin-6-yl)acetamide
PubChem CID87608450
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-(dimethylamino)-N-(3-oxo-2H-isoquinolin-6-yl)acetamide
SMILESCN(C)CC(=O)Nc1ccc2c[nH]c(=O)cc2c1
InChIInChI=1S/C13H15N3O2/c1-16(2)8-13(18)15-11-4-3-9-7-14-12(17)6-10(9)5-11/h3-7H,8H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyZBKUSHRAZZMOTL-UHFFFAOYSA-N
XLogP1.03
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(dimethylamino)-N-(3-oxo-2H-isoquinolin-6-yl)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-(dimethylamino)-N-(3-oxo-2H-isoquinolin-6-yl)acetamide?
The IUPAC name of 2-(dimethylamino)-N-(3-oxo-2H-isoquinolin-6-yl)acetamide (CID 87608450) is 2-(dimethylamino)-N-(3-oxo-2H-isoquinolin-6-yl)acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-(3-oxo-2H-isoquinolin-6-yl)acetamide?
The canonical SMILES for 2-(dimethylamino)-N-(3-oxo-2H-isoquinolin-6-yl)acetamide is CN(C)CC(=O)Nc1ccc2c[nH]c(=O)cc2c1.
What is the InChIKey of 2-(dimethylamino)-N-(3-oxo-2H-isoquinolin-6-yl)acetamide?
The InChIKey is ZBKUSHRAZZMOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-16(2)8-13(18)15-11-4-3-9-7-14-12(17)6-10(9)5-11/h3-7H,8H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of 2-(dimethylamino)-N-(3-oxo-2H-isoquinolin-6-yl)acetamide?
2-(dimethylamino)-N-(3-oxo-2H-isoquinolin-6-yl)acetamide has a molecular weight of 245.28 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(3-oxo-2H-isoquinolin-6-yl)acetamide is sourced from PubChem (CID 87608450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).