2-(2,4-dimethylquinolin-6-yl)oxyacetic acid

C13H13NO3 — CID 82580332

IUPAC2-(2,4-dimethylquinolin-6-yl)oxyacetic acid
SMILESCc1cc(C)c2cc(OCC(=O)O)ccc2n1
InChIInChI=1S/C13H13NO3/c1-8-5-9(2)14-12-4-3-10(6-11(8)12)17-7-13(15)16/h3-6H,7H2,1-2H3,(H,15,16)
InChIKeyGIIKUXBERPBAEC-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.32
Rot. Bonds3

About 2-(2,4-dimethylquinolin-6-yl)oxyacetic acid

2-(2,4-dimethylquinolin-6-yl)oxyacetic acid (PubChem CID 82580332) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-(2,4-dimethylquinolin-6-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(2,4-dimethylquinolin-6-yl)oxyacetic acid
PubChem CID82580332
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name2-(2,4-dimethylquinolin-6-yl)oxyacetic acid
SMILESCc1cc(C)c2cc(OCC(=O)O)ccc2n1
InChIInChI=1S/C13H13NO3/c1-8-5-9(2)14-12-4-3-10(6-11(8)12)17-7-13(15)16/h3-6H,7H2,1-2H3,(H,15,16)
InChIKeyGIIKUXBERPBAEC-UHFFFAOYSA-N
XLogP2.32
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;6-methoxy-2,4-dimethylquinoline
CID 143681558
6-ethoxy-4-methylquinoline-2-carboxylic acid
CID 82574771
3-[3,5-dichloro-4-(2,4-dimethylquinolin-6-yl)oxyphenyl]propanoic acid
CID 68528032
2-phenazin-2-yloxyacetic acid
CID 97034009
2-(2-methylquinolin-4-yl)oxyacetic acid
CID 658584
ethane;2-(3-fluoro-4-methylphenoxy)acetic acid
CID 155714293
6-(4-carboxy-2-methylquinolin-6-yl)oxy-2-methylquinoline-4-carboxylic acid
CID 4639551
2-[6-[4-(carboxymethoxy)-6-methylpyrimidin-2-yl]naphthalen-2-yl]oxyacetic acid
CID 10177050
2-[4-(8-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)phenoxy]acetic acid;hydrochloride
CID 47006423
2-(3-methylbenzimidazol-5-yl)oxyacetic acid
CID 84673953
2-(6-methoxy-2-methylquinolin-4-yl)oxy-1-phenylethanone
CID 162664426
2-(6,7-dimethoxy-2-methylquinolin-4-yl)oxyacetic acid
CID 53264216

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylquinolin-6-yl)oxyacetic acid?
The IUPAC name of 2-(2,4-dimethylquinolin-6-yl)oxyacetic acid (CID 82580332) is 2-(2,4-dimethylquinolin-6-yl)oxyacetic acid.
What is the SMILES notation for 2-(2,4-dimethylquinolin-6-yl)oxyacetic acid?
The canonical SMILES for 2-(2,4-dimethylquinolin-6-yl)oxyacetic acid is Cc1cc(C)c2cc(OCC(=O)O)ccc2n1.
What is the InChIKey of 2-(2,4-dimethylquinolin-6-yl)oxyacetic acid?
The InChIKey is GIIKUXBERPBAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-8-5-9(2)14-12-4-3-10(6-11(8)12)17-7-13(15)16/h3-6H,7H2,1-2H3,(H,15,16).
What are the key properties of 2-(2,4-dimethylquinolin-6-yl)oxyacetic acid?
2-(2,4-dimethylquinolin-6-yl)oxyacetic acid has a molecular weight of 231.25 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylquinolin-6-yl)oxyacetic acid is sourced from PubChem (CID 82580332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).