(3S)-3'-[2-oxo-2-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

C22H17F3N4O4 — CID 26927159

IUPAC(3S)-3'-[2-oxo-2-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1CN(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c2ccc(C(F)(F)F)cc2N1
InChIInChI=1S/C22H17F3N4O4/c23-22(24,25)13-5-6-16-15(9-13)26-17(30)10-28(16)18(31)11-29-19(32)21(27-20(29)33)8-7-12-3-1-2-4-14(12)21/h1-6,9H,7-8,10-11H2,(H,26,30)(H,27,33)/t21-/m0/s1
InChIKeyAQFXEBQRMNVUIY-NRFANRHFSA-N
MW458.40 g/mol
LogP2.38
Rot. Bonds2

About (3S)-3'-[2-oxo-2-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

(3S)-3'-[2-oxo-2-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 26927159) has the molecular formula C22H17F3N4O4 and a molecular weight of 458.40 g/mol. Its IUPAC name is (3S)-3'-[2-oxo-2-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(3S)-3'-[2-oxo-2-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
PubChem CID26927159
Molecular FormulaC22H17F3N4O4
Molecular Weight458.40 g/mol
Exact Mass458.12
IUPAC Name(3S)-3'-[2-oxo-2-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1CN(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c2ccc(C(F)(F)F)cc2N1
InChIInChI=1S/C22H17F3N4O4/c23-22(24,25)13-5-6-16-15(9-13)26-17(30)10-28(16)18(31)11-29-19(32)21(27-20(29)33)8-7-12-3-1-2-4-14(12)21/h1-6,9H,7-8,10-11H2,(H,26,30)(H,27,33)/t21-/m0/s1
InChIKeyAQFXEBQRMNVUIY-NRFANRHFSA-N
XLogP2.38
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.40
LogP ≤ 52.38
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-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 4811780
2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 40966969
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 24536930
(3S)-3'-(2-oxo-2-piperidin-1-ylethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 2702948
(4R)-3'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2464913
(3S)-3'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 99616144
methyl 1-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]-2,3-dihydroindole-5-carboxylate
CID 55514918
2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7859107
(4S)-3'-[2-(azepan-1-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2705993
ethyl 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetate
CID 4679778
(4R)-3'-(2-oxo-2-piperidin-1-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2706127
tert-butyl 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetate
CID 40857312

Frequently Asked Questions

What is the IUPAC name of (3S)-3'-[2-oxo-2-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (3S)-3'-[2-oxo-2-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (CID 26927159) is (3S)-3'-[2-oxo-2-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (3S)-3'-[2-oxo-2-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (3S)-3'-[2-oxo-2-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is O=C1CN(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c2ccc(C(F)(F)F)cc2N1.
What is the InChIKey of (3S)-3'-[2-oxo-2-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is AQFXEBQRMNVUIY-NRFANRHFSA-N. The full InChI is InChI=1S/C22H17F3N4O4/c23-22(24,25)13-5-6-16-15(9-13)26-17(30)10-28(16)18(31)11-29-19(32)21(27-20(29)33)8-7-12-3-1-2-4-14(12)21/h1-6,9H,7-8,10-11H2,(H,26,30)(H,27,33)/t21-/m0/s1.
What are the key properties of (3S)-3'-[2-oxo-2-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
(3S)-3'-[2-oxo-2-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 458.40 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3'-[2-oxo-2-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 26927159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).