N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]quinoxaline-2-carboxamide

C24H26N6O2 — CID 44591933

About N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]quinoxaline-2-carboxamide

N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]quinoxaline-2-carboxamide (PubChem CID 44591933) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]quinoxaline-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]quinoxaline-2-carboxamide
• PubChem CID: 44591933
• Molecular Formula: C24H26N6O2
• Molecular Weight: 430.51 g/mol
• Exact Mass: 430.21
• IUPAC Name: N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]quinoxaline-2-carboxamide
• SMILES: O=C(NCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1cnc2ccccc2n1
• InChI: InChI=1S/C24H26N6O2/c31-22(21-16-26-19-8-4-5-9-20(19)28-21)25-12-15-29-13-10-24(11-14-29)23(32)27-17-30(24)18-6-2-1-3-7-18/h1-9,16H,10-15,17H2,(H,25,31)(H,27,32)
• InChIKey: XRFKHTCILVHJLX-UHFFFAOYSA-N
• XLogP: 1.79
• TPSA: 90.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.51
LogP ≤ 5	1.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]quinoxaline-2-carboxamide?

The IUPAC name of N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]quinoxaline-2-carboxamide (CID 44591933) is N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]quinoxaline-2-carboxamide.

What is the SMILES notation for N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]quinoxaline-2-carboxamide?

The canonical SMILES for N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]quinoxaline-2-carboxamide is O=C(NCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1cnc2ccccc2n1.

What is the InChIKey of N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]quinoxaline-2-carboxamide?

The InChIKey is XRFKHTCILVHJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c31-22(21-16-26-19-8-4-5-9-20(19)28-21)25-12-15-29-13-10-24(11-14-29)23(32)27-17-30(24)18-6-2-1-3-7-18/h1-9,16H,10-15,17H2,(H,25,31)(H,27,32).

What are the key properties of N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]quinoxaline-2-carboxamide?

N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]quinoxaline-2-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 44591933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).