2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide

C21H22N4O4 — CID 55629407

IUPAC2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)Cn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C21H22N4O4/c1-3-14-8-4-6-10-16(14)22-18(26)12-24(2)19(27)13-25-20(28)15-9-5-7-11-17(15)23-21(25)29/h4-11H,3,12-13H2,1-2H3,(H,22,26)(H,23,29)
InChIKeyIUVKGOQPIYGOHE-UHFFFAOYSA-N
MW394.43 g/mol
LogP1.35
Rot. Bonds6

About 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide

2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide (PubChem CID 55629407) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
PubChem CID55629407
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)Cn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C21H22N4O4/c1-3-14-8-4-6-10-16(14)22-18(26)12-24(2)19(27)13-25-20(28)15-9-5-7-11-17(15)23-21(25)29/h4-11H,3,12-13H2,1-2H3,(H,22,26)(H,23,29)
InChIKeyIUVKGOQPIYGOHE-UHFFFAOYSA-N
XLogP1.35
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-piperidin-1-ylacetamide
CID 8894535
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
CID 2578515
N-[3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-4-methylphenyl]propanamide
CID 55725404
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 7723665
N-[4-(dimethylsulfamoyl)phenyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 55600769
2-cyclopentyl-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
CID 51146982
N-(2-ethylphenyl)-2-[methyl-(2-phenoxyacetyl)amino]acetamide
CID 8699505
N-(2-ethylphenyl)-2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195424
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
CID 84603611
N-benzyl-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 18083031
N-[2-(2-ethylanilino)-2-oxoethyl]-3-(2-fluorophenyl)-N-methylpropanamide
CID 51181026
N-(2-amino-2-methylpropyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide;hydrochloride
CID 119629138

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide (CID 55629407) is 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide is CCc1ccccc1NC(=O)CN(C)C(=O)Cn1c(=O)[nH]c2ccccc2c1=O.
What is the InChIKey of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is IUVKGOQPIYGOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-3-14-8-4-6-10-16(14)22-18(26)12-24(2)19(27)13-25-20(28)15-9-5-7-11-17(15)23-21(25)29/h4-11H,3,12-13H2,1-2H3,(H,22,26)(H,23,29).
What are the key properties of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide?
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide has a molecular weight of 394.43 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 55629407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).