2-[[2-(2,4-dioxoimidazolidin-1-yl)acetyl]amino]-N-ethylquinoline-4-carboxamide

C17H17N5O4 — CID 71908589

IUPAC2-[[2-(2,4-dioxoimidazolidin-1-yl)acetyl]amino]-N-ethylquinoline-4-carboxamide
SMILESCCNC(=O)c1cc(NC(=O)CN2CC(=O)NC2=O)nc2ccccc12
InChIInChI=1S/C17H17N5O4/c1-2-18-16(25)11-7-13(19-12-6-4-3-5-10(11)12)20-14(23)8-22-9-15(24)21-17(22)26/h3-7H,2,8-9H2,1H3,(H,18,25)(H,19,20,23)(H,21,24,26)
InChIKeyCPQTWRSDVSDEHR-UHFFFAOYSA-N
MW355.35 g/mol
LogP0.47
Rot. Bonds5

About 2-[[2-(2,4-dioxoimidazolidin-1-yl)acetyl]amino]-N-ethylquinoline-4-carboxamide

2-[[2-(2,4-dioxoimidazolidin-1-yl)acetyl]amino]-N-ethylquinoline-4-carboxamide (PubChem CID 71908589) has the molecular formula C17H17N5O4 and a molecular weight of 355.35 g/mol. Its IUPAC name is 2-[[2-(2,4-dioxoimidazolidin-1-yl)acetyl]amino]-N-ethylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-[[2-(2,4-dioxoimidazolidin-1-yl)acetyl]amino]-N-ethylquinoline-4-carboxamide
PubChem CID71908589
Molecular FormulaC17H17N5O4
Molecular Weight355.35 g/mol
Exact Mass355.13
IUPAC Name2-[[2-(2,4-dioxoimidazolidin-1-yl)acetyl]amino]-N-ethylquinoline-4-carboxamide
SMILESCCNC(=O)c1cc(NC(=O)CN2CC(=O)NC2=O)nc2ccccc12
InChIInChI=1S/C17H17N5O4/c1-2-18-16(25)11-7-13(19-12-6-4-3-5-10(11)12)20-14(23)8-22-9-15(24)21-17(22)26/h3-7H,2,8-9H2,1H3,(H,18,25)(H,19,20,23)(H,21,24,26)
InChIKeyCPQTWRSDVSDEHR-UHFFFAOYSA-N
XLogP0.47
TPSA120.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 2-[[2-(2,4-dioxoimidazolidin-1-yl)acetyl]amino]-N-ethylquinoline-4-carboxamide with MolForge

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Related Compounds

N-[4-(ethylcarbamoyl)quinolin-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 84595270
2-(dimethylamino)-N-ethylquinoline-4-carboxamide
CID 53016631
N-ethyl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]quinoline-4-carboxamide
CID 71908579
N-ethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 17473754
N-[2-[ethyl(methyl)amino]ethyl]-2-(methylamino)quinoline-4-carboxamide
CID 62640042
2-(ethylamino)-N-(2-methylbutyl)quinoline-4-carboxamide
CID 62692096
2-(methylamino)-N-(2-methylsulfinylethyl)quinoline-4-carboxamide
CID 115650076
N-ethyl-2-[(2-fluoro-5-methylphenyl)sulfonylamino]quinoline-4-carboxamide
CID 71907413
N-ethyl-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518786
2-(methylamino)-N-(1-methylcyclopentyl)quinoline-4-carboxamide
CID 64688497
N-(2-acetamidoethyl)-2-hydrazinylquinoline-4-carboxamide
CID 62241412
2-(ethylamino)-N-(2-methylbutan-2-yl)quinoline-4-carboxamide
CID 62173209

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dioxoimidazolidin-1-yl)acetyl]amino]-N-ethylquinoline-4-carboxamide?
The IUPAC name of 2-[[2-(2,4-dioxoimidazolidin-1-yl)acetyl]amino]-N-ethylquinoline-4-carboxamide (CID 71908589) is 2-[[2-(2,4-dioxoimidazolidin-1-yl)acetyl]amino]-N-ethylquinoline-4-carboxamide.
What is the SMILES notation for 2-[[2-(2,4-dioxoimidazolidin-1-yl)acetyl]amino]-N-ethylquinoline-4-carboxamide?
The canonical SMILES for 2-[[2-(2,4-dioxoimidazolidin-1-yl)acetyl]amino]-N-ethylquinoline-4-carboxamide is CCNC(=O)c1cc(NC(=O)CN2CC(=O)NC2=O)nc2ccccc12.
What is the InChIKey of 2-[[2-(2,4-dioxoimidazolidin-1-yl)acetyl]amino]-N-ethylquinoline-4-carboxamide?
The InChIKey is CPQTWRSDVSDEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4/c1-2-18-16(25)11-7-13(19-12-6-4-3-5-10(11)12)20-14(23)8-22-9-15(24)21-17(22)26/h3-7H,2,8-9H2,1H3,(H,18,25)(H,19,20,23)(H,21,24,26).
What are the key properties of 2-[[2-(2,4-dioxoimidazolidin-1-yl)acetyl]amino]-N-ethylquinoline-4-carboxamide?
2-[[2-(2,4-dioxoimidazolidin-1-yl)acetyl]amino]-N-ethylquinoline-4-carboxamide has a molecular weight of 355.35 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dioxoimidazolidin-1-yl)acetyl]amino]-N-ethylquinoline-4-carboxamide is sourced from PubChem (CID 71908589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).