4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide

C23H29N5O4 — CID 53091082

About 4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide

4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide (PubChem CID 53091082) has the molecular formula C23H29N5O4 and a molecular weight of 439.52 g/mol. Its IUPAC name is 4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide.

Molecular Properties

• Compound Name: 4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide
• PubChem CID: 53091082
• Molecular Formula: C23H29N5O4
• Molecular Weight: 439.52 g/mol
• Exact Mass: 439.22
• IUPAC Name: 4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide
• SMILES: CCOc1ccc(NC(=O)N2CC(=O)N(CC(=O)NCCN(C)C)c3ccccc32)cc1
• InChI: InChI=1S/C23H29N5O4/c1-4-32-18-11-9-17(10-12-18)25-23(31)28-16-22(30)27(19-7-5-6-8-20(19)28)15-21(29)24-13-14-26(2)3/h5-12H,4,13-16H2,1-3H3,(H,24,29)(H,25,31)
• InChIKey: GEZPSRXGBNQPRQ-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 94.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.52
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide?

The IUPAC name of 4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide (CID 53091082) is 4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide.

What is the SMILES notation for 4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide?

The canonical SMILES for 4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide is CCOc1ccc(NC(=O)N2CC(=O)N(CC(=O)NCCN(C)C)c3ccccc32)cc1.

What is the InChIKey of 4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide?

The InChIKey is GEZPSRXGBNQPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4/c1-4-32-18-11-9-17(10-12-18)25-23(31)28-16-22(30)27(19-7-5-6-8-20(19)28)15-21(29)24-13-14-26(2)3/h5-12H,4,13-16H2,1-3H3,(H,24,29)(H,25,31).

What are the key properties of 4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide?

4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide is sourced from PubChem (CID 53091082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).