2-(4-methoxyphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate

C19H17NO5 — CID 2431955

IUPAC2-(4-methoxyphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate
SMILESCOc1ccc(OCCOC(=O)c2cc(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C19H17NO5/c1-23-13-6-8-14(9-7-13)24-10-11-25-19(22)16-12-18(21)20-17-5-3-2-4-15(16)17/h2-9,12H,10-11H2,1H3,(H,20,21)
InChIKeyJYWBZTFYPYYGCH-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.77
Rot. Bonds6

About 2-(4-methoxyphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate

2-(4-methoxyphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 2431955) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate
PubChem CID2431955
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name2-(4-methoxyphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate
SMILESCOc1ccc(OCCOC(=O)c2cc(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C19H17NO5/c1-23-13-6-8-14(9-7-13)24-10-11-25-19(22)16-12-18(21)20-17-5-3-2-4-15(16)17/h2-9,12H,10-11H2,1H3,(H,20,21)
InChIKeyJYWBZTFYPYYGCH-UHFFFAOYSA-N
XLogP2.77
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate
CID 2094673
2-(3-methylphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate
CID 2431953
[2-(4-methoxyanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573596
2-(4-methoxyphenoxy)ethyl 2-oxo-1H-pyridine-3-carboxylate
CID 3658733
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 8789505
[2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2435886
[2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2339594
methanamine;2-oxo-1H-quinoline-4-carboxylic acid
CID 143703164
phenacyl 2-oxo-1H-quinoline-4-carboxylate
CID 684408
(2-chlorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate
CID 895054
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one
CID 2102546
[2-(3-methylbutylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573495

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of 2-(4-methoxyphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate (CID 2431955) is 2-(4-methoxyphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for 2-(4-methoxyphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for 2-(4-methoxyphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate is COc1ccc(OCCOC(=O)c2cc(=O)[nH]c3ccccc23)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is JYWBZTFYPYYGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-23-13-6-8-14(9-7-13)24-10-11-25-19(22)16-12-18(21)20-17-5-3-2-4-15(16)17/h2-9,12H,10-11H2,1H3,(H,20,21).
What are the key properties of 2-(4-methoxyphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate?
2-(4-methoxyphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 339.35 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 2431955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).