2-(5-bromo-2,4-dimethylquinolin-8-yl)oxyacetic acid

C13H12BrNO3 — CID 82580334

IUPAC2-(5-bromo-2,4-dimethylquinolin-8-yl)oxyacetic acid
SMILESCc1cc(C)c2c(Br)ccc(OCC(=O)O)c2n1
InChIInChI=1S/C13H12BrNO3/c1-7-5-8(2)15-13-10(18-6-11(16)17)4-3-9(14)12(7)13/h3-5H,6H2,1-2H3,(H,16,17)
InChIKeyHWYHVIWQRQKQJC-UHFFFAOYSA-N
MW310.15 g/mol
LogP3.08
Rot. Bonds3

About 2-(5-bromo-2,4-dimethylquinolin-8-yl)oxyacetic acid

2-(5-bromo-2,4-dimethylquinolin-8-yl)oxyacetic acid (PubChem CID 82580334) has the molecular formula C13H12BrNO3 and a molecular weight of 310.15 g/mol. Its IUPAC name is 2-(5-bromo-2,4-dimethylquinolin-8-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(5-bromo-2,4-dimethylquinolin-8-yl)oxyacetic acid
PubChem CID82580334
Molecular FormulaC13H12BrNO3
Molecular Weight310.15 g/mol
Exact Mass309.00
IUPAC Name2-(5-bromo-2,4-dimethylquinolin-8-yl)oxyacetic acid
SMILESCc1cc(C)c2c(Br)ccc(OCC(=O)O)c2n1
InChIInChI=1S/C13H12BrNO3/c1-7-5-8(2)15-13-10(18-6-11(16)17)4-3-9(14)12(7)13/h3-5H,6H2,1-2H3,(H,16,17)
InChIKeyHWYHVIWQRQKQJC-UHFFFAOYSA-N
XLogP3.08
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,4-dimethylquinolin-8-yl)oxyacetic acid?
The IUPAC name of 2-(5-bromo-2,4-dimethylquinolin-8-yl)oxyacetic acid (CID 82580334) is 2-(5-bromo-2,4-dimethylquinolin-8-yl)oxyacetic acid.
What is the SMILES notation for 2-(5-bromo-2,4-dimethylquinolin-8-yl)oxyacetic acid?
The canonical SMILES for 2-(5-bromo-2,4-dimethylquinolin-8-yl)oxyacetic acid is Cc1cc(C)c2c(Br)ccc(OCC(=O)O)c2n1.
What is the InChIKey of 2-(5-bromo-2,4-dimethylquinolin-8-yl)oxyacetic acid?
The InChIKey is HWYHVIWQRQKQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO3/c1-7-5-8(2)15-13-10(18-6-11(16)17)4-3-9(14)12(7)13/h3-5H,6H2,1-2H3,(H,16,17).
What are the key properties of 2-(5-bromo-2,4-dimethylquinolin-8-yl)oxyacetic acid?
2-(5-bromo-2,4-dimethylquinolin-8-yl)oxyacetic acid has a molecular weight of 310.15 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,4-dimethylquinolin-8-yl)oxyacetic acid is sourced from PubChem (CID 82580334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).