[2-(2-methoxyanilino)-2-oxoethyl] quinoline-2-carboxylate

C19H16N2O4 — CID 2343068

IUPAC[2-(2-methoxyanilino)-2-oxoethyl] quinoline-2-carboxylate
SMILESCOc1ccccc1NC(=O)COC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C19H16N2O4/c1-24-17-9-5-4-8-15(17)21-18(22)12-25-19(23)16-11-10-13-6-2-3-7-14(13)20-16/h2-11H,12H2,1H3,(H,21,22)
InChIKeyXWBQTKJHANNXPF-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.04
Rot. Bonds5

About [2-(2-methoxyanilino)-2-oxoethyl] quinoline-2-carboxylate

[2-(2-methoxyanilino)-2-oxoethyl] quinoline-2-carboxylate (PubChem CID 2343068) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is [2-(2-methoxyanilino)-2-oxoethyl] quinoline-2-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxyanilino)-2-oxoethyl] quinoline-2-carboxylate
PubChem CID2343068
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name[2-(2-methoxyanilino)-2-oxoethyl] quinoline-2-carboxylate
SMILESCOc1ccccc1NC(=O)COC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C19H16N2O4/c1-24-17-9-5-4-8-15(17)21-18(22)12-25-19(23)16-11-10-13-6-2-3-7-14(13)20-16/h2-11H,12H2,1H3,(H,21,22)
InChIKeyXWBQTKJHANNXPF-UHFFFAOYSA-N
XLogP3.04
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] quinoline-2-carboxylate?
The IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] quinoline-2-carboxylate (CID 2343068) is [2-(2-methoxyanilino)-2-oxoethyl] quinoline-2-carboxylate.
What is the SMILES notation for [2-(2-methoxyanilino)-2-oxoethyl] quinoline-2-carboxylate?
The canonical SMILES for [2-(2-methoxyanilino)-2-oxoethyl] quinoline-2-carboxylate is COc1ccccc1NC(=O)COC(=O)c1ccc2ccccc2n1.
What is the InChIKey of [2-(2-methoxyanilino)-2-oxoethyl] quinoline-2-carboxylate?
The InChIKey is XWBQTKJHANNXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-24-17-9-5-4-8-15(17)21-18(22)12-25-19(23)16-11-10-13-6-2-3-7-14(13)20-16/h2-11H,12H2,1H3,(H,21,22).
What are the key properties of [2-(2-methoxyanilino)-2-oxoethyl] quinoline-2-carboxylate?
[2-(2-methoxyanilino)-2-oxoethyl] quinoline-2-carboxylate has a molecular weight of 336.35 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyanilino)-2-oxoethyl] quinoline-2-carboxylate is sourced from PubChem (CID 2343068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).