[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate

C24H27N3O7 — CID 55306186

About [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate (PubChem CID 55306186) has the molecular formula C24H27N3O7 and a molecular weight of 469.49 g/mol. Its IUPAC name is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate.

Molecular Properties

• Compound Name: [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate
• PubChem CID: 55306186
• Molecular Formula: C24H27N3O7
• Molecular Weight: 469.49 g/mol
• Exact Mass: 469.18
• IUPAC Name: [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate
• SMILES: COc1cc(OC)cc(C(=O)NC(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)C(C)C)c1
• InChI: InChI=1S/C24H27N3O7/c1-14(2)22(26-23(30)15-9-16(32-3)11-17(10-15)33-4)24(31)34-13-21(29)27-12-20(28)25-18-7-5-6-8-19(18)27/h5-11,14,22H,12-13H2,1-4H3,(H,25,28)(H,26,30)
• InChIKey: HXGYGNHDTJETFB-UHFFFAOYSA-N
• XLogP: 1.99
• TPSA: 123.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.49
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate?

The IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate (CID 55306186) is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate.

What is the SMILES notation for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate?

The canonical SMILES for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate is COc1cc(OC)cc(C(=O)NC(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)C(C)C)c1.

What is the InChIKey of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate?

The InChIKey is HXGYGNHDTJETFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O7/c1-14(2)22(26-23(30)15-9-16(32-3)11-17(10-15)33-4)24(31)34-13-21(29)27-12-20(28)25-18-7-5-6-8-19(18)27/h5-11,14,22H,12-13H2,1-4H3,(H,25,28)(H,26,30).

What are the key properties of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate?

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate has a molecular weight of 469.49 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate is sourced from PubChem (CID 55306186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).