[2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate

C20H18N2O4 — CID 2390297

IUPAC[2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESCN(Cc1ccccc1)C(=O)COC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C20H18N2O4/c1-22(12-14-7-3-2-4-8-14)19(24)13-26-20(25)16-11-18(23)21-17-10-6-5-9-15(16)17/h2-11H,12-13H2,1H3,(H,21,23)
InChIKeyHPLVGLYJIIPNBJ-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.34
Rot. Bonds5

About [2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate

[2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 2390297) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
PubChem CID2390297
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name[2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESCN(Cc1ccccc1)C(=O)COC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C20H18N2O4/c1-22(12-14-7-3-2-4-8-14)19(24)13-26-20(25)16-11-18(23)21-17-10-6-5-9-15(16)17/h2-11H,12-13H2,1H3,(H,21,23)
InChIKeyHPLVGLYJIIPNBJ-UHFFFAOYSA-N
XLogP2.34
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 16529880
N-benzyl-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 2977763
[2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2435886
phenacyl 2-oxo-1H-quinoline-4-carboxylate
CID 684408
[2-[cyclopentyl(propan-2-yl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 71888056
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 9270290
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 7761796
(2-oxo-2-piperidin-1-ylethyl) 2-oxo-1H-quinoline-4-carboxylate
CID 2646060
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 2356268
[1-(benzylamino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 17409936
[2-[benzyl(methyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8544093
[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2489819

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate (CID 2390297) is [2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for [2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for [2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate is CN(Cc1ccccc1)C(=O)COC(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is HPLVGLYJIIPNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-22(12-14-7-3-2-4-8-14)19(24)13-26-20(25)16-11-18(23)21-17-10-6-5-9-15(16)17/h2-11H,12-13H2,1H3,(H,21,23).
What are the key properties of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 350.37 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 2390297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).