5-methyl-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione

C22H22N4O4 — CID 4882824

IUPAC5-methyl-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESCC1(CCc2ccccc2)NC(=O)N(CC(=O)N2CC(=O)Nc3ccccc32)C1=O
InChIInChI=1S/C22H22N4O4/c1-22(12-11-15-7-3-2-4-8-15)20(29)26(21(30)24-22)14-19(28)25-13-18(27)23-16-9-5-6-10-17(16)25/h2-10H,11-14H2,1H3,(H,23,27)(H,24,30)
InChIKeyFKMXRGJMZHPORC-UHFFFAOYSA-N
MW406.44 g/mol
LogP1.91
Rot. Bonds5

About 5-methyl-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione

5-methyl-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 4882824) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 5-methyl-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
PubChem CID4882824
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name5-methyl-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESCC1(CCc2ccccc2)NC(=O)N(CC(=O)N2CC(=O)Nc3ccccc32)C1=O
InChIInChI=1S/C22H22N4O4/c1-22(12-11-15-7-3-2-4-8-15)20(29)26(21(30)24-22)14-19(28)25-13-18(27)23-16-9-5-6-10-17(16)25/h2-10H,11-14H2,1H3,(H,23,27)(H,24,30)
InChIKeyFKMXRGJMZHPORC-UHFFFAOYSA-N
XLogP1.91
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione (CID 4882824) is 5-methyl-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione is CC1(CCc2ccccc2)NC(=O)N(CC(=O)N2CC(=O)Nc3ccccc32)C1=O.
What is the InChIKey of 5-methyl-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is FKMXRGJMZHPORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-22(12-11-15-7-3-2-4-8-15)20(29)26(21(30)24-22)14-19(28)25-13-18(27)23-16-9-5-6-10-17(16)25/h2-10H,11-14H2,1H3,(H,23,27)(H,24,30).
What are the key properties of 5-methyl-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
5-methyl-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 406.44 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 4882824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).