[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate

C24H28N4O5 — CID 41465015

About [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate

[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate (PubChem CID 41465015) has the molecular formula C24H28N4O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate.

Molecular Properties

• Compound Name: [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
• PubChem CID: 41465015
• Molecular Formula: C24H28N4O5
• Molecular Weight: 452.51 g/mol
• Exact Mass: 452.21
• IUPAC Name: [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
• SMILES: CCc1nc2ccccc2c(C(=O)OCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c1C
• InChI: InChI=1S/C24H28N4O5/c1-4-17-15(3)20(16-7-5-6-8-18(16)25-17)21(30)33-13-19(29)27-28-22(31)24(26-23(28)32)11-9-14(2)10-12-24/h5-8,14H,4,9-13H2,1-3H3,(H,26,32)(H,27,29)
• InChIKey: HLTUDZAGRJUKQH-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 117.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.51
LogP ≤ 5	2.79
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 [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate?

The IUPAC name of [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate (CID 41465015) is [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate.

What is the SMILES notation for [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate?

The canonical SMILES for [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate is CCc1nc2ccccc2c(C(=O)OCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c1C.

What is the InChIKey of [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate?

The InChIKey is HLTUDZAGRJUKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5/c1-4-17-15(3)20(16-7-5-6-8-18(16)25-17)21(30)33-13-19(29)27-28-22(31)24(26-23(28)32)11-9-14(2)10-12-24/h5-8,14H,4,9-13H2,1-3H3,(H,26,32)(H,27,29).

What are the key properties of [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate?

[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate has a molecular weight of 452.51 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate is sourced from PubChem (CID 41465015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).