2-(5-bromo-4-methylquinolin-8-yl)oxy-2-methylpropanoic acid

C14H14BrNO3 — CID 82580433

IUPAC2-(5-bromo-4-methylquinolin-8-yl)oxy-2-methylpropanoic acid
SMILESCc1ccnc2c(OC(C)(C)C(=O)O)ccc(Br)c12
InChIInChI=1S/C14H14BrNO3/c1-8-6-7-16-12-10(5-4-9(15)11(8)12)19-14(2,3)13(17)18/h4-7H,1-3H3,(H,17,18)
InChIKeyCBUGKXOBJROFIU-UHFFFAOYSA-N
MW324.17 g/mol
LogP3.55
Rot. Bonds3

About 2-(5-bromo-4-methylquinolin-8-yl)oxy-2-methylpropanoic acid

2-(5-bromo-4-methylquinolin-8-yl)oxy-2-methylpropanoic acid (PubChem CID 82580433) has the molecular formula C14H14BrNO3 and a molecular weight of 324.17 g/mol. Its IUPAC name is 2-(5-bromo-4-methylquinolin-8-yl)oxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(5-bromo-4-methylquinolin-8-yl)oxy-2-methylpropanoic acid
PubChem CID82580433
Molecular FormulaC14H14BrNO3
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name2-(5-bromo-4-methylquinolin-8-yl)oxy-2-methylpropanoic acid
SMILESCc1ccnc2c(OC(C)(C)C(=O)O)ccc(Br)c12
InChIInChI=1S/C14H14BrNO3/c1-8-6-7-16-12-10(5-4-9(15)11(8)12)19-14(2,3)13(17)18/h4-7H,1-3H3,(H,17,18)
InChIKeyCBUGKXOBJROFIU-UHFFFAOYSA-N
XLogP3.55
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-methylquinolin-8-yl)oxy-2-methylpropanoic acid?
The IUPAC name of 2-(5-bromo-4-methylquinolin-8-yl)oxy-2-methylpropanoic acid (CID 82580433) is 2-(5-bromo-4-methylquinolin-8-yl)oxy-2-methylpropanoic acid.
What is the SMILES notation for 2-(5-bromo-4-methylquinolin-8-yl)oxy-2-methylpropanoic acid?
The canonical SMILES for 2-(5-bromo-4-methylquinolin-8-yl)oxy-2-methylpropanoic acid is Cc1ccnc2c(OC(C)(C)C(=O)O)ccc(Br)c12.
What is the InChIKey of 2-(5-bromo-4-methylquinolin-8-yl)oxy-2-methylpropanoic acid?
The InChIKey is CBUGKXOBJROFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3/c1-8-6-7-16-12-10(5-4-9(15)11(8)12)19-14(2,3)13(17)18/h4-7H,1-3H3,(H,17,18).
What are the key properties of 2-(5-bromo-4-methylquinolin-8-yl)oxy-2-methylpropanoic acid?
2-(5-bromo-4-methylquinolin-8-yl)oxy-2-methylpropanoic acid has a molecular weight of 324.17 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-methylquinolin-8-yl)oxy-2-methylpropanoic acid is sourced from PubChem (CID 82580433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).