[2-(2,5-dimethylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate

C20H18N2O4 — CID 2573641

IUPAC[2-(2,5-dimethylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESCc1ccc(C)c(NC(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)c1
InChIInChI=1S/C20H18N2O4/c1-12-7-8-13(2)17(9-12)22-19(24)11-26-20(25)15-10-18(23)21-16-6-4-3-5-14(15)16/h3-10H,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyAXYSSSDLDVFVDA-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.94
Rot. Bonds4

About [2-(2,5-dimethylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate

[2-(2,5-dimethylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 2573641) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is [2-(2,5-dimethylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(2,5-dimethylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
PubChem CID2573641
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name[2-(2,5-dimethylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESCc1ccc(C)c(NC(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)c1
InChIInChI=1S/C20H18N2O4/c1-12-7-8-13(2)17(9-12)22-19(24)11-26-20(25)15-10-18(23)21-16-6-4-3-5-14(15)16/h3-10H,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyAXYSSSDLDVFVDA-UHFFFAOYSA-N
XLogP2.94
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(2,5-dimethylanilino)-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-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573573
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573652
[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-(4-ethoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2489819
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573437
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2435196
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 9346196
[2-(4-methoxyanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573596
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 7761895
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2387654
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 2542958

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of [2-(2,5-dimethylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate (CID 2573641) is [2-(2,5-dimethylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for [2-(2,5-dimethylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for [2-(2,5-dimethylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate is Cc1ccc(C)c(NC(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)c1.
What is the InChIKey of [2-(2,5-dimethylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is AXYSSSDLDVFVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-12-7-8-13(2)17(9-12)22-19(24)11-26-20(25)15-10-18(23)21-16-6-4-3-5-14(15)16/h3-10H,11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of [2-(2,5-dimethylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 350.37 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 2573641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).