2-[(1-methyl-2-oxo-3,4-dihydroquinolin-8-yl)oxy]acetic acid

C12H13NO4 — CID 117209716

IUPAC2-[(1-methyl-2-oxo-3,4-dihydroquinolin-8-yl)oxy]acetic acid
SMILESCN1C(=O)CCc2cccc(OCC(=O)O)c21
InChIInChI=1S/C12H13NO4/c1-13-10(14)6-5-8-3-2-4-9(12(8)13)17-7-11(15)16/h2-4H,5-7H2,1H3,(H,15,16)
InChIKeyFEOXIULFPOBQOO-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.06
Rot. Bonds3

About 2-[(1-methyl-2-oxo-3,4-dihydroquinolin-8-yl)oxy]acetic acid

2-[(1-methyl-2-oxo-3,4-dihydroquinolin-8-yl)oxy]acetic acid (PubChem CID 117209716) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-[(1-methyl-2-oxo-3,4-dihydroquinolin-8-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(1-methyl-2-oxo-3,4-dihydroquinolin-8-yl)oxy]acetic acid
PubChem CID117209716
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name2-[(1-methyl-2-oxo-3,4-dihydroquinolin-8-yl)oxy]acetic acid
SMILESCN1C(=O)CCc2cccc(OCC(=O)O)c21
InChIInChI=1S/C12H13NO4/c1-13-10(14)6-5-8-3-2-4-9(12(8)13)17-7-11(15)16/h2-4H,5-7H2,1H3,(H,15,16)
InChIKeyFEOXIULFPOBQOO-UHFFFAOYSA-N
XLogP1.06
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)acetic acid
CID 83757667
2-[(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]acetic acid
CID 84686583
1-(1-methyl-2-oxo-3,4-dihydroquinolin-8-yl)cyclobutane-1-carboxylic acid
CID 117401867
2-[2-(2,7-dioxoazepan-1-yl)phenoxy]acetic acid
CID 63746035
2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate
CID 121199307
1-hydroxypyrrolidine-2,5-dione;2-phenoxyacetic acid
CID 175172730
2-[2-(2-oxopiperidin-1-yl)phenoxy]acetic acid
CID 63746544
2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid;undecane
CID 144530231
2-(2,3-dihydro-1H-isoindol-4-yloxy)acetic acid
CID 84664529
2-(3-ethyl-2-methylphenoxy)acetic acid
CID 165357581
2-(2-amino-3-methylphenoxy)acetic acid
CID 61261601
2-[[38,39,40,41,42-pentakis(carboxymethoxy)-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaenyl]oxy]acetic acid
CID 100979111

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-2-oxo-3,4-dihydroquinolin-8-yl)oxy]acetic acid?
The IUPAC name of 2-[(1-methyl-2-oxo-3,4-dihydroquinolin-8-yl)oxy]acetic acid (CID 117209716) is 2-[(1-methyl-2-oxo-3,4-dihydroquinolin-8-yl)oxy]acetic acid.
What is the SMILES notation for 2-[(1-methyl-2-oxo-3,4-dihydroquinolin-8-yl)oxy]acetic acid?
The canonical SMILES for 2-[(1-methyl-2-oxo-3,4-dihydroquinolin-8-yl)oxy]acetic acid is CN1C(=O)CCc2cccc(OCC(=O)O)c21.
What is the InChIKey of 2-[(1-methyl-2-oxo-3,4-dihydroquinolin-8-yl)oxy]acetic acid?
The InChIKey is FEOXIULFPOBQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-13-10(14)6-5-8-3-2-4-9(12(8)13)17-7-11(15)16/h2-4H,5-7H2,1H3,(H,15,16).
What are the key properties of 2-[(1-methyl-2-oxo-3,4-dihydroquinolin-8-yl)oxy]acetic acid?
2-[(1-methyl-2-oxo-3,4-dihydroquinolin-8-yl)oxy]acetic acid has a molecular weight of 235.24 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-2-oxo-3,4-dihydroquinolin-8-yl)oxy]acetic acid is sourced from PubChem (CID 117209716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).