[2-[benzyl(methyl)amino]-2-oxoethyl] quinoline-2-carboxylate

C20H18N2O3 — CID 2367377

IUPAC[2-[benzyl(methyl)amino]-2-oxoethyl] quinoline-2-carboxylate
SMILESCN(Cc1ccccc1)C(=O)COC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C20H18N2O3/c1-22(13-15-7-3-2-4-8-15)19(23)14-25-20(24)18-12-11-16-9-5-6-10-17(16)21-18/h2-12H,13-14H2,1H3
InChIKeyVISJVASPVGPVMF-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.05
Rot. Bonds5

About [2-[benzyl(methyl)amino]-2-oxoethyl] quinoline-2-carboxylate

[2-[benzyl(methyl)amino]-2-oxoethyl] quinoline-2-carboxylate (PubChem CID 2367377) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-2-oxoethyl] quinoline-2-carboxylate.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]-2-oxoethyl] quinoline-2-carboxylate
PubChem CID2367377
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name[2-[benzyl(methyl)amino]-2-oxoethyl] quinoline-2-carboxylate
SMILESCN(Cc1ccccc1)C(=O)COC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C20H18N2O3/c1-22(13-15-7-3-2-4-8-15)19(23)14-25-20(24)18-12-11-16-9-5-6-10-17(16)21-18/h2-12H,13-14H2,1H3
InChIKeyVISJVASPVGPVMF-UHFFFAOYSA-N
XLogP3.05
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] quinoline-2-carboxylate?
The IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] quinoline-2-carboxylate (CID 2367377) is [2-[benzyl(methyl)amino]-2-oxoethyl] quinoline-2-carboxylate.
What is the SMILES notation for [2-[benzyl(methyl)amino]-2-oxoethyl] quinoline-2-carboxylate?
The canonical SMILES for [2-[benzyl(methyl)amino]-2-oxoethyl] quinoline-2-carboxylate is CN(Cc1ccccc1)C(=O)COC(=O)c1ccc2ccccc2n1.
What is the InChIKey of [2-[benzyl(methyl)amino]-2-oxoethyl] quinoline-2-carboxylate?
The InChIKey is VISJVASPVGPVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-22(13-15-7-3-2-4-8-15)19(23)14-25-20(24)18-12-11-16-9-5-6-10-17(16)21-18/h2-12H,13-14H2,1H3.
What are the key properties of [2-[benzyl(methyl)amino]-2-oxoethyl] quinoline-2-carboxylate?
[2-[benzyl(methyl)amino]-2-oxoethyl] quinoline-2-carboxylate has a molecular weight of 334.38 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(methyl)amino]-2-oxoethyl] quinoline-2-carboxylate is sourced from PubChem (CID 2367377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).