N-(2-methoxy-4-nitrophenyl)-2-[(2R)-1-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide

C26H25N5O6 — CID 26888149

About N-(2-methoxy-4-nitrophenyl)-2-[(2R)-1-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide

N-(2-methoxy-4-nitrophenyl)-2-[(2R)-1-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide (PubChem CID 26888149) has the molecular formula C26H25N5O6 and a molecular weight of 503.52 g/mol. Its IUPAC name is N-(2-methoxy-4-nitrophenyl)-2-[(2R)-1-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-methoxy-4-nitrophenyl)-2-[(2R)-1-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
• PubChem CID: 26888149
• Molecular Formula: C26H25N5O6
• Molecular Weight: 503.52 g/mol
• Exact Mass: 503.18
• IUPAC Name: N-(2-methoxy-4-nitrophenyl)-2-[(2R)-1-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
• SMILES: COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1CC(=O)Nc1ccc(C)cc1
• InChI: InChI=1S/C26H25N5O6/c1-16-7-9-17(10-8-16)27-25(33)15-30-21-6-4-3-5-19(21)29-26(34)22(30)14-24(32)28-20-12-11-18(31(35)36)13-23(20)37-2/h3-13,22H,14-15H2,1-2H3,(H,27,33)(H,28,32)(H,29,34)/t22-/m1/s1
• InChIKey: ZQOJHQDRYYOQHL-JOCHJYFZSA-N
• XLogP: 3.71
• TPSA: 142.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.52
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-nitrophenyl)-2-[(2R)-1-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?

The IUPAC name of N-(2-methoxy-4-nitrophenyl)-2-[(2R)-1-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide (CID 26888149) is N-(2-methoxy-4-nitrophenyl)-2-[(2R)-1-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide.

What is the SMILES notation for N-(2-methoxy-4-nitrophenyl)-2-[(2R)-1-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?

The canonical SMILES for N-(2-methoxy-4-nitrophenyl)-2-[(2R)-1-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide is COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1CC(=O)Nc1ccc(C)cc1.

What is the InChIKey of N-(2-methoxy-4-nitrophenyl)-2-[(2R)-1-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?

The InChIKey is ZQOJHQDRYYOQHL-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H25N5O6/c1-16-7-9-17(10-8-16)27-25(33)15-30-21-6-4-3-5-19(21)29-26(34)22(30)14-24(32)28-20-12-11-18(31(35)36)13-23(20)37-2/h3-13,22H,14-15H2,1-2H3,(H,27,33)(H,28,32)(H,29,34)/t22-/m1/s1.

What are the key properties of N-(2-methoxy-4-nitrophenyl)-2-[(2R)-1-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?

N-(2-methoxy-4-nitrophenyl)-2-[(2R)-1-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide has a molecular weight of 503.52 g/mol, XLogP of 3.71, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxy-4-nitrophenyl)-2-[(2R)-1-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide is sourced from PubChem (CID 26888149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).