2-(6-bromo-1-oxo-3,4-dihydroisoquinolin-2-yl)acetamide

C11H11BrN2O2 — CID 163371643

IUPAC2-(6-bromo-1-oxo-3,4-dihydroisoquinolin-2-yl)acetamide
SMILESNC(=O)CN1CCc2cc(Br)ccc2C1=O
InChIInChI=1S/C11H11BrN2O2/c12-8-1-2-9-7(5-8)3-4-14(11(9)16)6-10(13)15/h1-2,5H,3-4,6H2,(H2,13,15)
InChIKeyQABOANKEVDSUEA-UHFFFAOYSA-N
MW283.12 g/mol
LogP0.93
Rot. Bonds2

About 2-(6-bromo-1-oxo-3,4-dihydroisoquinolin-2-yl)acetamide

2-(6-bromo-1-oxo-3,4-dihydroisoquinolin-2-yl)acetamide (PubChem CID 163371643) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 2-(6-bromo-1-oxo-3,4-dihydroisoquinolin-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-bromo-1-oxo-3,4-dihydroisoquinolin-2-yl)acetamide
PubChem CID163371643
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name2-(6-bromo-1-oxo-3,4-dihydroisoquinolin-2-yl)acetamide
SMILESNC(=O)CN1CCc2cc(Br)ccc2C1=O
InChIInChI=1S/C11H11BrN2O2/c12-8-1-2-9-7(5-8)3-4-14(11(9)16)6-10(13)15/h1-2,5H,3-4,6H2,(H2,13,15)
InChIKeyQABOANKEVDSUEA-UHFFFAOYSA-N
XLogP0.93
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(6-bromo-1-oxo-3,4-dihydroisoquinolin-2-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-(6-bromo-1-oxo-3,4-dihydroisoquinolin-2-yl)acetamide?
The IUPAC name of 2-(6-bromo-1-oxo-3,4-dihydroisoquinolin-2-yl)acetamide (CID 163371643) is 2-(6-bromo-1-oxo-3,4-dihydroisoquinolin-2-yl)acetamide.
What is the SMILES notation for 2-(6-bromo-1-oxo-3,4-dihydroisoquinolin-2-yl)acetamide?
The canonical SMILES for 2-(6-bromo-1-oxo-3,4-dihydroisoquinolin-2-yl)acetamide is NC(=O)CN1CCc2cc(Br)ccc2C1=O.
What is the InChIKey of 2-(6-bromo-1-oxo-3,4-dihydroisoquinolin-2-yl)acetamide?
The InChIKey is QABOANKEVDSUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c12-8-1-2-9-7(5-8)3-4-14(11(9)16)6-10(13)15/h1-2,5H,3-4,6H2,(H2,13,15).
What are the key properties of 2-(6-bromo-1-oxo-3,4-dihydroisoquinolin-2-yl)acetamide?
2-(6-bromo-1-oxo-3,4-dihydroisoquinolin-2-yl)acetamide has a molecular weight of 283.12 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-1-oxo-3,4-dihydroisoquinolin-2-yl)acetamide is sourced from PubChem (CID 163371643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).