[2-(2,6-dimethylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate

C20H18N2O4 — CID 2573575

IUPAC[2-(2,6-dimethylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESCc1cccc(C)c1NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C20H18N2O4/c1-12-6-5-7-13(2)19(12)22-18(24)11-26-20(25)15-10-17(23)21-16-9-4-3-8-14(15)16/h3-10H,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyXTSGDOJUHXIEMH-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.94
Rot. Bonds4

About [2-(2,6-dimethylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate

[2-(2,6-dimethylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 2573575) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is [2-(2,6-dimethylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(2,6-dimethylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
PubChem CID2573575
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name[2-(2,6-dimethylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESCc1cccc(C)c1NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C20H18N2O4/c1-12-6-5-7-13(2)19(12)22-18(24)11-26-20(25)15-10-17(23)21-16-9-4-3-8-14(15)16/h3-10H,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyXTSGDOJUHXIEMH-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-(2,6-dimethylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate with MolForge

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Related Compounds

4-Ethoxycarbonyl-2-quinolone
CID 160782
Methyl 1,2-dihydro-3-methyl-2-oxo-4-quinolinecarboxylate
CID 751540
phenacyl 6-methyl-2-oxo-1H-quinoline-4-carboxylate
CID 747118
4-Quinolinecarboxylic acid, 1,2-dihydro-2-oxo-, methyl ester
CID 181636
Ethyl 3-(3-phenylpropanoylamino)benzoate
CID 670777
2-Oxo-2-phenylethyl 2-hydroxyquinoline-4-carboxylate
CID 684408
2-(4-Fluorophenyl)-2-oxoethyl 2-hydroxy-6-methylquinoline-4-carboxylate
CID 902796
2-(4-Methylphenyl)-2-oxoethyl 2-hydroxy-4-quinolinecarboxylate
CID 955509
(6-methyl-2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate
CID 1399519
[2-oxo-2-(2-phenylethylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2358098
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2417566
Propyl 2-hydroxyquinoline-4-carboxylate
CID 649303

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate (CID 2573575) is [2-(2,6-dimethylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for [2-(2,6-dimethylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for [2-(2,6-dimethylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate is Cc1cccc(C)c1NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of [2-(2,6-dimethylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is XTSGDOJUHXIEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-12-6-5-7-13(2)19(12)22-18(24)11-26-20(25)15-10-17(23)21-16-9-4-3-8-14(15)16/h3-10H,11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of [2-(2,6-dimethylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
[2-(2,6-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-(2,6-dimethylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 2573575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).