3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione

C23H24N4O4 — CID 3575123

IUPAC3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESCC1(C)C(=O)Nc2ccccc2N1C(=O)CN1C(=O)NC(CCc2ccccc2)C1=O
InChIInChI=1S/C23H24N4O4/c1-23(2)21(30)24-16-10-6-7-11-18(16)27(23)19(28)14-26-20(29)17(25-22(26)31)13-12-15-8-4-3-5-9-15/h3-11,17H,12-14H2,1-2H3,(H,24,30)(H,25,31)
InChIKeyXEFBWYKMZGWDSG-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.30
Rot. Bonds5

About 3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione

3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 3575123) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
PubChem CID3575123
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESCC1(C)C(=O)Nc2ccccc2N1C(=O)CN1C(=O)NC(CCc2ccccc2)C1=O
InChIInChI=1S/C23H24N4O4/c1-23(2)21(30)24-16-10-6-7-11-18(16)27(23)19(28)14-26-20(29)17(25-22(26)31)13-12-15-8-4-3-5-9-15/h3-11,17H,12-14H2,1-2H3,(H,24,30)(H,25,31)
InChIKeyXEFBWYKMZGWDSG-UHFFFAOYSA-N
XLogP2.30
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1R,2R)-N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)-2-phenylcyclopropanecarboxamide
CID 25105706
1,3,5-Triphenylimidazolidine-2,4-dione
CID 11609579
N-(4-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2584000
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 4964169
(10aS)-2-(2-ethylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
CID 7714690
8-Phenethyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
CID 4092325
1-[1-(4-Acetyl-piperazine-1-carbonyl)-cyclohexyl]-3-p-tolyl-urea
CID 6487857
1-Phenyl-8-(3-phenyl-propyl)-1,3,8-triaza-spiro[4.5]decan-4-one
CID 10497999
3-Methyl-spiro[1,2,3,4-tetrahydroquinazoline-4,4'-imidazolidine]-2,2',5'-trione
CID 14229988
1',3'-Dimethylspiro[imidazolidine-5,4'-quinazoline]-2,2',4-trione
CID 14230004
1-Isobutyl-3-methyl-spiro[1,2,3,4-tetrahydroquinazoline-4,4'-imidazolidine]-2,2',5'-trione
CID 14230005
1-Phenyl-8-(4-phenyl-butyl)-1,3,8-triaza-spiro[4.5]decan-4-one
CID 14968318

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione (CID 3575123) is 3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione is CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1C(=O)NC(CCc2ccccc2)C1=O.
What is the InChIKey of 3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is XEFBWYKMZGWDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-23(2)21(30)24-16-10-6-7-11-18(16)27(23)19(28)14-26-20(29)17(25-22(26)31)13-12-15-8-4-3-5-9-15/h3-11,17H,12-14H2,1-2H3,(H,24,30)(H,25,31).
What are the key properties of 3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 420.47 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 3575123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).