[2-(4-acetamidophenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate

C20H16N2O5 — CID 8789495

IUPAC[2-(4-acetamidophenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESCC(=O)Nc1ccc(C(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C20H16N2O5/c1-12(23)21-14-8-6-13(7-9-14)18(24)11-27-20(26)16-10-19(25)22-17-5-3-2-4-15(16)17/h2-10H,11H2,1H3,(H,21,23)(H,22,25)
InChIKeyRJBSXWABEGPSIK-UHFFFAOYSA-N
MW364.36 g/mol
LogP2.53
Rot. Bonds5

About [2-(4-acetamidophenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate

[2-(4-acetamidophenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 8789495) has the molecular formula C20H16N2O5 and a molecular weight of 364.36 g/mol. Its IUPAC name is [2-(4-acetamidophenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(4-acetamidophenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
PubChem CID8789495
Molecular FormulaC20H16N2O5
Molecular Weight364.36 g/mol
Exact Mass364.11
IUPAC Name[2-(4-acetamidophenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESCC(=O)Nc1ccc(C(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C20H16N2O5/c1-12(23)21-14-8-6-13(7-9-14)18(24)11-27-20(26)16-10-19(25)22-17-5-3-2-4-15(16)17/h2-10H,11H2,1H3,(H,21,23)(H,22,25)
InChIKeyRJBSXWABEGPSIK-UHFFFAOYSA-N
XLogP2.53
TPSA105.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

phenacyl 2-oxo-1H-quinoline-4-carboxylate
CID 684408
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 7761796
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 7761895
[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2489819
[2-(4-methoxyanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573596
[2-(4-nitrophenyl)-2-oxoethyl] 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]benzoate
CID 1128714
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 42901295
[2-(3-nitrophenyl)-2-oxoethyl] 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]benzoate
CID 3666143
(1-anilino-1-oxopropan-2-yl) 2-oxo-1H-quinoline-4-carboxylate
CID 16529843
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2358570
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573652
[2-(4-nitrophenyl)-2-oxoethyl] 3-[(2-oxo-1H-quinoline-4-carbonyl)amino]benzoate
CID 1128716

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidophenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of [2-(4-acetamidophenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate (CID 8789495) is [2-(4-acetamidophenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for [2-(4-acetamidophenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for [2-(4-acetamidophenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate is CC(=O)Nc1ccc(C(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)cc1.
What is the InChIKey of [2-(4-acetamidophenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is RJBSXWABEGPSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O5/c1-12(23)21-14-8-6-13(7-9-14)18(24)11-27-20(26)16-10-19(25)22-17-5-3-2-4-15(16)17/h2-10H,11H2,1H3,(H,21,23)(H,22,25).
What are the key properties of [2-(4-acetamidophenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
[2-(4-acetamidophenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 364.36 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidophenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 8789495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).