methyl 1-ethoxy-2-oxo-8-(quinoxalin-5-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate

C21H26N4O4 — CID 56852741

About methyl 1-ethoxy-2-oxo-8-(quinoxalin-5-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate

methyl 1-ethoxy-2-oxo-8-(quinoxalin-5-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate (PubChem CID 56852741) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is methyl 1-ethoxy-2-oxo-8-(quinoxalin-5-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate.

Molecular Properties

• Compound Name: methyl 1-ethoxy-2-oxo-8-(quinoxalin-5-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
• PubChem CID: 56852741
• Molecular Formula: C21H26N4O4
• Molecular Weight: 398.46 g/mol
• Exact Mass: 398.20
• IUPAC Name: methyl 1-ethoxy-2-oxo-8-(quinoxalin-5-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
• SMILES: CCON1C(=O)CC(C(=O)OC)C12CCN(Cc1cccc3nccnc13)CC2
• InChI: InChI=1S/C21H26N4O4/c1-3-29-25-18(26)13-16(20(27)28-2)21(25)7-11-24(12-8-21)14-15-5-4-6-17-19(15)23-10-9-22-17/h4-6,9-10,16H,3,7-8,11-14H2,1-2H3
• InChIKey: GCFAHWQQHKJTCG-UHFFFAOYSA-N
• XLogP: 1.94
• TPSA: 84.86 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.46
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl 1-ethoxy-2-oxo-8-(quinoxalin-5-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate?

The IUPAC name of methyl 1-ethoxy-2-oxo-8-(quinoxalin-5-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate (CID 56852741) is methyl 1-ethoxy-2-oxo-8-(quinoxalin-5-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate.

What is the SMILES notation for methyl 1-ethoxy-2-oxo-8-(quinoxalin-5-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate?

The canonical SMILES for methyl 1-ethoxy-2-oxo-8-(quinoxalin-5-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate is CCON1C(=O)CC(C(=O)OC)C12CCN(Cc1cccc3nccnc13)CC2.

What is the InChIKey of methyl 1-ethoxy-2-oxo-8-(quinoxalin-5-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate?

The InChIKey is GCFAHWQQHKJTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-3-29-25-18(26)13-16(20(27)28-2)21(25)7-11-24(12-8-21)14-15-5-4-6-17-19(15)23-10-9-22-17/h4-6,9-10,16H,3,7-8,11-14H2,1-2H3.

What are the key properties of methyl 1-ethoxy-2-oxo-8-(quinoxalin-5-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate?

methyl 1-ethoxy-2-oxo-8-(quinoxalin-5-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate has a molecular weight of 398.46 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 1-ethoxy-2-oxo-8-(quinoxalin-5-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate is sourced from PubChem (CID 56852741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).