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

C21H19FN4O4 — CID 7181234

IUPAC(5R)-5-ethyl-5-(4-fluorophenyl)-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]imidazolidine-2,4-dione
SMILESCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CC(=O)Nc3ccccc32)C1=O
InChIInChI=1S/C21H19FN4O4/c1-2-21(13-7-9-14(22)10-8-13)19(29)26(20(30)24-21)12-18(28)25-11-17(27)23-15-5-3-4-6-16(15)25/h3-10H,2,11-12H2,1H3,(H,23,27)(H,24,30)/t21-/m1/s1
InChIKeyRXQAVGCDUYYIGF-OAQYLSRUSA-N
MW410.41 g/mol
LogP1.97
Rot. Bonds4

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

(5R)-5-ethyl-5-(4-fluorophenyl)-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 7181234) has the molecular formula C21H19FN4O4 and a molecular weight of 410.41 g/mol. Its IUPAC name is (5R)-5-ethyl-5-(4-fluorophenyl)-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-ethyl-5-(4-fluorophenyl)-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]imidazolidine-2,4-dione
PubChem CID7181234
Molecular FormulaC21H19FN4O4
Molecular Weight410.41 g/mol
Exact Mass410.14
IUPAC Name(5R)-5-ethyl-5-(4-fluorophenyl)-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]imidazolidine-2,4-dione
SMILESCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CC(=O)Nc3ccccc32)C1=O
InChIInChI=1S/C21H19FN4O4/c1-2-21(13-7-9-14(22)10-8-13)19(29)26(20(30)24-21)12-18(28)25-11-17(27)23-15-5-3-4-6-16(15)25/h3-10H,2,11-12H2,1H3,(H,23,27)(H,24,30)/t21-/m1/s1
InChIKeyRXQAVGCDUYYIGF-OAQYLSRUSA-N
XLogP1.97
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 51.97
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

3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 4804767
(5R)-3-[2-(azocan-1-yl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 8571131
(5S)-5-ethyl-5-(4-fluorophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione
CID 7264837
(5S)-5-ethyl-3-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 7531488
(5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 9394991
5-ethyl-5-(4-fluorophenyl)-3-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 24565962
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 3963316
(5R)-5-ethyl-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 7179651
3'-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 4811780
(5R)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]imidazolidine-2,4-dione
CID 41176825
(5S)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]imidazolidine-2,4-dione
CID 41186973
(5R)-3-[2-(1-adamantyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 7264499

Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethyl-5-(4-fluorophenyl)-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-ethyl-5-(4-fluorophenyl)-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]imidazolidine-2,4-dione (CID 7181234) is (5R)-5-ethyl-5-(4-fluorophenyl)-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-ethyl-5-(4-fluorophenyl)-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-ethyl-5-(4-fluorophenyl)-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]imidazolidine-2,4-dione is CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CC(=O)Nc3ccccc32)C1=O.
What is the InChIKey of (5R)-5-ethyl-5-(4-fluorophenyl)-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is RXQAVGCDUYYIGF-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H19FN4O4/c1-2-21(13-7-9-14(22)10-8-13)19(29)26(20(30)24-21)12-18(28)25-11-17(27)23-15-5-3-4-6-16(15)25/h3-10H,2,11-12H2,1H3,(H,23,27)(H,24,30)/t21-/m1/s1.
What are the key properties of (5R)-5-ethyl-5-(4-fluorophenyl)-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]imidazolidine-2,4-dione?
(5R)-5-ethyl-5-(4-fluorophenyl)-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 410.41 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethyl-5-(4-fluorophenyl)-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 7181234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).