2-(6-bromo-1-methyl-2-oxoquinolin-3-yl)oxy-N-methylacetamide

C13H13BrN2O3 — CID 142606269

IUPAC2-(6-bromo-1-methyl-2-oxoquinolin-3-yl)oxy-N-methylacetamide
SMILESCNC(=O)COc1cc2cc(Br)ccc2n(C)c1=O
InChIInChI=1S/C13H13BrN2O3/c1-15-12(17)7-19-11-6-8-5-9(14)3-4-10(8)16(2)13(11)18/h3-6H,7H2,1-2H3,(H,15,17)
InChIKeyDMEGLYCGLNKTNX-UHFFFAOYSA-N
MW325.16 g/mol
LogP1.43
Rot. Bonds3

About 2-(6-bromo-1-methyl-2-oxoquinolin-3-yl)oxy-N-methylacetamide

2-(6-bromo-1-methyl-2-oxoquinolin-3-yl)oxy-N-methylacetamide (PubChem CID 142606269) has the molecular formula C13H13BrN2O3 and a molecular weight of 325.16 g/mol. Its IUPAC name is 2-(6-bromo-1-methyl-2-oxoquinolin-3-yl)oxy-N-methylacetamide.

Molecular Properties

Compound Name2-(6-bromo-1-methyl-2-oxoquinolin-3-yl)oxy-N-methylacetamide
PubChem CID142606269
Molecular FormulaC13H13BrN2O3
Molecular Weight325.16 g/mol
Exact Mass324.01
IUPAC Name2-(6-bromo-1-methyl-2-oxoquinolin-3-yl)oxy-N-methylacetamide
SMILESCNC(=O)COc1cc2cc(Br)ccc2n(C)c1=O
InChIInChI=1S/C13H13BrN2O3/c1-15-12(17)7-19-11-6-8-5-9(14)3-4-10(8)16(2)13(11)18/h3-6H,7H2,1-2H3,(H,15,17)
InChIKeyDMEGLYCGLNKTNX-UHFFFAOYSA-N
XLogP1.43
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.16
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-1-methyl-2-oxoquinolin-3-yl)oxy-N-methylacetamide?
The IUPAC name of 2-(6-bromo-1-methyl-2-oxoquinolin-3-yl)oxy-N-methylacetamide (CID 142606269) is 2-(6-bromo-1-methyl-2-oxoquinolin-3-yl)oxy-N-methylacetamide.
What is the SMILES notation for 2-(6-bromo-1-methyl-2-oxoquinolin-3-yl)oxy-N-methylacetamide?
The canonical SMILES for 2-(6-bromo-1-methyl-2-oxoquinolin-3-yl)oxy-N-methylacetamide is CNC(=O)COc1cc2cc(Br)ccc2n(C)c1=O.
What is the InChIKey of 2-(6-bromo-1-methyl-2-oxoquinolin-3-yl)oxy-N-methylacetamide?
The InChIKey is DMEGLYCGLNKTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3/c1-15-12(17)7-19-11-6-8-5-9(14)3-4-10(8)16(2)13(11)18/h3-6H,7H2,1-2H3,(H,15,17).
What are the key properties of 2-(6-bromo-1-methyl-2-oxoquinolin-3-yl)oxy-N-methylacetamide?
2-(6-bromo-1-methyl-2-oxoquinolin-3-yl)oxy-N-methylacetamide has a molecular weight of 325.16 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-1-methyl-2-oxoquinolin-3-yl)oxy-N-methylacetamide is sourced from PubChem (CID 142606269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).