2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetic acid

C12H9Cl2NO3 — CID 2393576

IUPAC2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetic acid
SMILESCc1ccc2c(Cl)cc(Cl)c(OCC(=O)O)c2n1
InChIInChI=1S/C12H9Cl2NO3/c1-6-2-3-7-8(13)4-9(14)12(11(7)15-6)18-5-10(16)17/h2-4H,5H2,1H3,(H,16,17)
InChIKeyUBPPSOBNDLDLMY-UHFFFAOYSA-N
MW286.11 g/mol
LogP3.31
Rot. Bonds3

About 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetic acid

2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetic acid (PubChem CID 2393576) has the molecular formula C12H9Cl2NO3 and a molecular weight of 286.11 g/mol. Its IUPAC name is 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetic acid
PubChem CID2393576
Molecular FormulaC12H9Cl2NO3
Molecular Weight286.11 g/mol
Exact Mass285.00
IUPAC Name2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetic acid
SMILESCc1ccc2c(Cl)cc(Cl)c(OCC(=O)O)c2n1
InChIInChI=1S/C12H9Cl2NO3/c1-6-2-3-7-8(13)4-9(14)12(11(7)15-6)18-5-10(16)17/h2-4H,5H2,1H3,(H,16,17)
InChIKeyUBPPSOBNDLDLMY-UHFFFAOYSA-N
XLogP3.31
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.11
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetic acid?
The IUPAC name of 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetic acid (CID 2393576) is 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetic acid.
What is the SMILES notation for 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetic acid?
The canonical SMILES for 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetic acid is Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)O)c2n1.
What is the InChIKey of 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetic acid?
The InChIKey is UBPPSOBNDLDLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO3/c1-6-2-3-7-8(13)4-9(14)12(11(7)15-6)18-5-10(16)17/h2-4H,5H2,1H3,(H,16,17).
What are the key properties of 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetic acid?
2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetic acid has a molecular weight of 286.11 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetic acid is sourced from PubChem (CID 2393576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).