3'-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

C22H20N4O4 — CID 4811780

IUPAC3'-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1CN(C(=O)CN2C(=O)NC3(CCCc4ccccc43)C2=O)c2ccccc2N1
InChIInChI=1S/C22H20N4O4/c27-18-12-25(17-10-4-3-9-16(17)23-18)19(28)13-26-20(29)22(24-21(26)30)11-5-7-14-6-1-2-8-15(14)22/h1-4,6,8-10H,5,7,11-13H2,(H,23,27)(H,24,30)
InChIKeyXMZITLVGFMZFGI-UHFFFAOYSA-N
MW404.43 g/mol
LogP1.76
Rot. Bonds2

About 3'-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

3'-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 4811780) has the molecular formula C22H20N4O4 and a molecular weight of 404.43 g/mol. Its IUPAC name is 3'-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
PubChem CID4811780
Molecular FormulaC22H20N4O4
Molecular Weight404.43 g/mol
Exact Mass404.15
IUPAC Name3'-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1CN(C(=O)CN2C(=O)NC3(CCCc4ccccc43)C2=O)c2ccccc2N1
InChIInChI=1S/C22H20N4O4/c27-18-12-25(17-10-4-3-9-16(17)23-18)19(28)13-26-20(29)22(24-21(26)30)11-5-7-14-6-1-2-8-15(14)22/h1-4,6,8-10H,5,7,11-13H2,(H,23,27)(H,24,30)
InChIKeyXMZITLVGFMZFGI-UHFFFAOYSA-N
XLogP1.76
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3'-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione with MolForge

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Related Compounds

(4R)-3'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2464913
(4R)-3'-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 41134788
(4R)-3'-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 41134787
(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
(4S)-3'-[2-(azepan-1-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2705993
(4R)-3'-(2-oxo-2-piperidin-1-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2706127
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2705974
(5S)-3'-[2-(azepan-1-yl)-2-oxoethyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
CID 41138995
(3S)-3'-(2-oxo-2-piperidin-1-ylethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 2702948
3'-(3,3-dimethyl-2-oxobutyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 4810139
(5R)-3'-(2-chloroprop-2-enyl)spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
CID 41258996
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methoxyacetamide
CID 42925453

Frequently Asked Questions

What is the IUPAC name of 3'-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 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) is 3'-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is O=C1CN(C(=O)CN2C(=O)NC3(CCCc4ccccc43)C2=O)c2ccccc2N1.
What is the InChIKey of 3'-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is XMZITLVGFMZFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4/c27-18-12-25(17-10-4-3-9-16(17)23-18)19(28)13-26-20(29)22(24-21(26)30)11-5-7-14-6-1-2-8-15(14)22/h1-4,6,8-10H,5,7,11-13H2,(H,23,27)(H,24,30).
What are the key properties of 3'-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
3'-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 404.43 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 4811780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).