[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] quinoline-2-carboxylate

C20H18N2O4 — CID 2347318

IUPAC[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] quinoline-2-carboxylate
SMILESCOc1ccc(CNC(=O)COC(=O)c2ccc3ccccc3n2)cc1
InChIInChI=1S/C20H18N2O4/c1-25-16-9-6-14(7-10-16)12-21-19(23)13-26-20(24)18-11-8-15-4-2-3-5-17(15)22-18/h2-11H,12-13H2,1H3,(H,21,23)
InChIKeyOBYXYLCANPCWFV-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.72
Rot. Bonds6

About [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] quinoline-2-carboxylate

[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] quinoline-2-carboxylate (PubChem CID 2347318) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] quinoline-2-carboxylate.

Molecular Properties

Compound Name[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] quinoline-2-carboxylate
PubChem CID2347318
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] quinoline-2-carboxylate
SMILESCOc1ccc(CNC(=O)COC(=O)c2ccc3ccccc3n2)cc1
InChIInChI=1S/C20H18N2O4/c1-25-16-9-6-14(7-10-16)12-21-19(23)13-26-20(24)18-11-8-15-4-2-3-5-17(15)22-18/h2-11H,12-13H2,1H3,(H,21,23)
InChIKeyOBYXYLCANPCWFV-UHFFFAOYSA-N
XLogP2.72
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] quinoline-2-carboxylate?
The IUPAC name of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] quinoline-2-carboxylate (CID 2347318) is [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] quinoline-2-carboxylate.
What is the SMILES notation for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] quinoline-2-carboxylate?
The canonical SMILES for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] quinoline-2-carboxylate is COc1ccc(CNC(=O)COC(=O)c2ccc3ccccc3n2)cc1.
What is the InChIKey of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] quinoline-2-carboxylate?
The InChIKey is OBYXYLCANPCWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-25-16-9-6-14(7-10-16)12-21-19(23)13-26-20(24)18-11-8-15-4-2-3-5-17(15)22-18/h2-11H,12-13H2,1H3,(H,21,23).
What are the key properties of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] quinoline-2-carboxylate?
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] quinoline-2-carboxylate has a molecular weight of 350.37 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] quinoline-2-carboxylate is sourced from PubChem (CID 2347318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).