2-(6-bromo-2-oxoquinolin-1-yl)acetamide

C11H9BrN2O2 — CID 46830041

IUPAC2-(6-bromo-2-oxoquinolin-1-yl)acetamide
SMILESNC(=O)Cn1c(=O)ccc2cc(Br)ccc21
InChIInChI=1S/C11H9BrN2O2/c12-8-2-3-9-7(5-8)1-4-11(16)14(9)6-10(13)15/h1-5H,6H2,(H2,13,15)
InChIKeyXRMGPLJIWCSUDQ-UHFFFAOYSA-N
MW281.11 g/mol
LogP1.25
Rot. Bonds2

About 2-(6-bromo-2-oxoquinolin-1-yl)acetamide

2-(6-bromo-2-oxoquinolin-1-yl)acetamide (PubChem CID 46830041) has the molecular formula C11H9BrN2O2 and a molecular weight of 281.11 g/mol. Its IUPAC name is 2-(6-bromo-2-oxoquinolin-1-yl)acetamide.

Molecular Properties

Compound Name2-(6-bromo-2-oxoquinolin-1-yl)acetamide
PubChem CID46830041
Molecular FormulaC11H9BrN2O2
Molecular Weight281.11 g/mol
Exact Mass279.98
IUPAC Name2-(6-bromo-2-oxoquinolin-1-yl)acetamide
SMILESNC(=O)Cn1c(=O)ccc2cc(Br)ccc21
InChIInChI=1S/C11H9BrN2O2/c12-8-2-3-9-7(5-8)1-4-11(16)14(9)6-10(13)15/h1-5H,6H2,(H2,13,15)
InChIKeyXRMGPLJIWCSUDQ-UHFFFAOYSA-N
XLogP1.25
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-oxoquinolin-1-yl)acetamide?
The IUPAC name of 2-(6-bromo-2-oxoquinolin-1-yl)acetamide (CID 46830041) is 2-(6-bromo-2-oxoquinolin-1-yl)acetamide.
What is the SMILES notation for 2-(6-bromo-2-oxoquinolin-1-yl)acetamide?
The canonical SMILES for 2-(6-bromo-2-oxoquinolin-1-yl)acetamide is NC(=O)Cn1c(=O)ccc2cc(Br)ccc21.
What is the InChIKey of 2-(6-bromo-2-oxoquinolin-1-yl)acetamide?
The InChIKey is XRMGPLJIWCSUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2/c12-8-2-3-9-7(5-8)1-4-11(16)14(9)6-10(13)15/h1-5H,6H2,(H2,13,15).
What are the key properties of 2-(6-bromo-2-oxoquinolin-1-yl)acetamide?
2-(6-bromo-2-oxoquinolin-1-yl)acetamide has a molecular weight of 281.11 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-oxoquinolin-1-yl)acetamide is sourced from PubChem (CID 46830041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).