2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetic acid

C11H11NO4 — CID 12819282

IUPAC2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetic acid
SMILESO=C(O)COc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C11H11NO4/c13-10-4-1-7-5-8(16-6-11(14)15)2-3-9(7)12-10/h2-3,5H,1,4,6H2,(H,12,13)(H,14,15)
InChIKeyVYZHZRBXFADZJA-UHFFFAOYSA-N
MW221.21 g/mol
LogP1.03
Rot. Bonds3

About 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetic acid

2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetic acid (PubChem CID 12819282) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetic acid
PubChem CID12819282
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetic acid
SMILESO=C(O)COc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C11H11NO4/c13-10-4-1-7-5-8(16-6-11(14)15)2-3-9(7)12-10/h2-3,5H,1,4,6H2,(H,12,13)(H,14,15)
InChIKeyVYZHZRBXFADZJA-UHFFFAOYSA-N
XLogP1.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetic acid?
The IUPAC name of 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetic acid (CID 12819282) is 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetic acid.
What is the SMILES notation for 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetic acid?
The canonical SMILES for 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetic acid is O=C(O)COc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetic acid?
The InChIKey is VYZHZRBXFADZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c13-10-4-1-7-5-8(16-6-11(14)15)2-3-9(7)12-10/h2-3,5H,1,4,6H2,(H,12,13)(H,14,15).
What are the key properties of 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetic acid?
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetic acid has a molecular weight of 221.21 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetic acid is sourced from PubChem (CID 12819282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).