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

C20H16N2O6 — CID 7761895

IUPAC[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C20H16N2O6/c1-27-19(25)12-6-8-13(9-7-12)21-18(24)11-28-20(26)15-10-17(23)22-16-5-3-2-4-14(15)16/h2-10H,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyQJEFOIQZFRSJGS-UHFFFAOYSA-N
MW380.36 g/mol
LogP2.11
Rot. Bonds5

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

[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 7761895) has the molecular formula C20H16N2O6 and a molecular weight of 380.36 g/mol. Its IUPAC name is [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
PubChem CID7761895
Molecular FormulaC20H16N2O6
Molecular Weight380.36 g/mol
Exact Mass380.10
IUPAC Name[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C20H16N2O6/c1-27-19(25)12-6-8-13(9-7-12)21-18(24)11-28-20(26)15-10-17(23)22-16-5-3-2-4-14(15)16/h2-10H,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyQJEFOIQZFRSJGS-UHFFFAOYSA-N
XLogP2.11
TPSA114.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[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-acetamidophenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 8789495
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2358570
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2389396
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573552
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573652
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573641
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573573
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2413178
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 7761777
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2435196

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate (CID 7761895) is [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate is COC(=O)c1ccc(NC(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)cc1.
What is the InChIKey of [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is QJEFOIQZFRSJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O6/c1-27-19(25)12-6-8-13(9-7-12)21-18(24)11-28-20(26)15-10-17(23)22-16-5-3-2-4-14(15)16/h2-10H,11H2,1H3,(H,21,24)(H,22,23).
What are the key properties of [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 380.36 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 7761895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).