methyl 2-[(2-oxo-1H-quinolin-8-yl)oxy]acetate

C12H11NO4 — CID 66917774

IUPACmethyl 2-[(2-oxo-1H-quinolin-8-yl)oxy]acetate
SMILESCOC(=O)COc1cccc2ccc(=O)[nH]c12
InChIInChI=1S/C12H11NO4/c1-16-11(15)7-17-9-4-2-3-8-5-6-10(14)13-12(8)9/h2-6H,7H2,1H3,(H,13,14)
InChIKeyYNLSSHXNMXWJDL-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.08
Rot. Bonds3

About methyl 2-[(2-oxo-1H-quinolin-8-yl)oxy]acetate

methyl 2-[(2-oxo-1H-quinolin-8-yl)oxy]acetate (PubChem CID 66917774) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is methyl 2-[(2-oxo-1H-quinolin-8-yl)oxy]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-oxo-1H-quinolin-8-yl)oxy]acetate
PubChem CID66917774
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Namemethyl 2-[(2-oxo-1H-quinolin-8-yl)oxy]acetate
SMILESCOC(=O)COc1cccc2ccc(=O)[nH]c12
InChIInChI=1S/C12H11NO4/c1-16-11(15)7-17-9-4-2-3-8-5-6-10(14)13-12(8)9/h2-6H,7H2,1H3,(H,13,14)
InChIKeyYNLSSHXNMXWJDL-UHFFFAOYSA-N
XLogP1.08
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-oxo-1H-quinolin-8-yl)oxy]acetate?
The IUPAC name of methyl 2-[(2-oxo-1H-quinolin-8-yl)oxy]acetate (CID 66917774) is methyl 2-[(2-oxo-1H-quinolin-8-yl)oxy]acetate.
What is the SMILES notation for methyl 2-[(2-oxo-1H-quinolin-8-yl)oxy]acetate?
The canonical SMILES for methyl 2-[(2-oxo-1H-quinolin-8-yl)oxy]acetate is COC(=O)COc1cccc2ccc(=O)[nH]c12.
What is the InChIKey of methyl 2-[(2-oxo-1H-quinolin-8-yl)oxy]acetate?
The InChIKey is YNLSSHXNMXWJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-16-11(15)7-17-9-4-2-3-8-5-6-10(14)13-12(8)9/h2-6H,7H2,1H3,(H,13,14).
What are the key properties of methyl 2-[(2-oxo-1H-quinolin-8-yl)oxy]acetate?
methyl 2-[(2-oxo-1H-quinolin-8-yl)oxy]acetate has a molecular weight of 233.22 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-oxo-1H-quinolin-8-yl)oxy]acetate is sourced from PubChem (CID 66917774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).