(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

C23H22N4O6 — CID 41186973

About (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

(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 (PubChem CID 41186973) has the molecular formula C23H22N4O6 and a molecular weight of 450.45 g/mol. Its IUPAC name is (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.

Molecular Properties

• Compound Name: (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
• PubChem CID: 41186973
• Molecular Formula: C23H22N4O6
• Molecular Weight: 450.45 g/mol
• Exact Mass: 450.15
• IUPAC Name: (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
• SMILES: C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)N2CC(=O)Nc3ccccc32)C1=O
• InChI: InChI=1S/C23H22N4O6/c1-23(14-7-8-17-18(11-14)33-10-4-9-32-17)21(30)27(22(31)25-23)13-20(29)26-12-19(28)24-15-5-2-3-6-16(15)26/h2-3,5-8,11H,4,9-10,12-13H2,1H3,(H,24,28)(H,25,31)/t23-/m0/s1
• InChIKey: PUNNJCXDMLBKEW-QHCPKHFHSA-N
• XLogP: 1.60
• TPSA: 117.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.45
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (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?

The IUPAC name of (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) is (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.

What is the SMILES notation for (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?

The canonical SMILES for (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 is C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)N2CC(=O)Nc3ccccc32)C1=O.

What is the InChIKey of (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?

The InChIKey is PUNNJCXDMLBKEW-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H22N4O6/c1-23(14-7-8-17-18(11-14)33-10-4-9-32-17)21(30)27(22(31)25-23)13-20(29)26-12-19(28)24-15-5-2-3-6-16(15)26/h2-3,5-8,11H,4,9-10,12-13H2,1H3,(H,24,28)(H,25,31)/t23-/m0/s1.

What are the key properties of (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?

(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 has a molecular weight of 450.45 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (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 is sourced from PubChem (CID 41186973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).