2-(6,7-dimethoxy-2-methylquinolin-4-yl)oxyacetic acid

C14H15NO5 — CID 53264216

IUPAC2-(6,7-dimethoxy-2-methylquinolin-4-yl)oxyacetic acid
SMILESCOc1cc2nc(C)cc(OCC(=O)O)c2cc1OC
InChIInChI=1S/C14H15NO5/c1-8-4-11(20-7-14(16)17)9-5-12(18-2)13(19-3)6-10(9)15-8/h4-6H,7H2,1-3H3,(H,16,17)
InChIKeyFBHFRISXUWBOKS-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.02
Rot. Bonds5

About 2-(6,7-dimethoxy-2-methylquinolin-4-yl)oxyacetic acid

2-(6,7-dimethoxy-2-methylquinolin-4-yl)oxyacetic acid (PubChem CID 53264216) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-(6,7-dimethoxy-2-methylquinolin-4-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(6,7-dimethoxy-2-methylquinolin-4-yl)oxyacetic acid
PubChem CID53264216
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name2-(6,7-dimethoxy-2-methylquinolin-4-yl)oxyacetic acid
SMILESCOc1cc2nc(C)cc(OCC(=O)O)c2cc1OC
InChIInChI=1S/C14H15NO5/c1-8-4-11(20-7-14(16)17)9-5-12(18-2)13(19-3)6-10(9)15-8/h4-6H,7H2,1-3H3,(H,16,17)
InChIKeyFBHFRISXUWBOKS-UHFFFAOYSA-N
XLogP2.02
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxy-2-methylquinolin-4-yl)oxyacetic acid?
The IUPAC name of 2-(6,7-dimethoxy-2-methylquinolin-4-yl)oxyacetic acid (CID 53264216) is 2-(6,7-dimethoxy-2-methylquinolin-4-yl)oxyacetic acid.
What is the SMILES notation for 2-(6,7-dimethoxy-2-methylquinolin-4-yl)oxyacetic acid?
The canonical SMILES for 2-(6,7-dimethoxy-2-methylquinolin-4-yl)oxyacetic acid is COc1cc2nc(C)cc(OCC(=O)O)c2cc1OC.
What is the InChIKey of 2-(6,7-dimethoxy-2-methylquinolin-4-yl)oxyacetic acid?
The InChIKey is FBHFRISXUWBOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-8-4-11(20-7-14(16)17)9-5-12(18-2)13(19-3)6-10(9)15-8/h4-6H,7H2,1-3H3,(H,16,17).
What are the key properties of 2-(6,7-dimethoxy-2-methylquinolin-4-yl)oxyacetic acid?
2-(6,7-dimethoxy-2-methylquinolin-4-yl)oxyacetic acid has a molecular weight of 277.28 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxy-2-methylquinolin-4-yl)oxyacetic acid is sourced from PubChem (CID 53264216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).