1-(4-fluorophenyl)-5-methyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-1,2,4-triazole-3-carboxamide

C25H19FN6O3 — CID 55751191

About 1-(4-fluorophenyl)-5-methyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-1,2,4-triazole-3-carboxamide

1-(4-fluorophenyl)-5-methyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-1,2,4-triazole-3-carboxamide (PubChem CID 55751191) has the molecular formula C25H19FN6O3 and a molecular weight of 470.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-(4-fluorophenyl)-5-methyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-1,2,4-triazole-3-carboxamide
• PubChem CID: 55751191
• Molecular Formula: C25H19FN6O3
• Molecular Weight: 470.46 g/mol
• Exact Mass: 470.15
• IUPAC Name: 1-(4-fluorophenyl)-5-methyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-1,2,4-triazole-3-carboxamide
• SMILES: Cc1nc(C(=O)Nc2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)nn1-c1ccc(F)cc1
• InChI: InChI=1S/C25H19FN6O3/c1-15-27-23(30-32(15)19-12-8-17(26)9-13-19)24(34)28-18-10-6-16(7-11-18)25(35)31-14-22(33)29-20-4-2-3-5-21(20)31/h2-13H,14H2,1H3,(H,28,34)(H,29,33)
• InChIKey: LJSRTWCQVVKYBX-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 109.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.46
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-1,2,4-triazole-3-carboxamide?

The IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-1,2,4-triazole-3-carboxamide (CID 55751191) is 1-(4-fluorophenyl)-5-methyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-1,2,4-triazole-3-carboxamide.

What is the SMILES notation for 1-(4-fluorophenyl)-5-methyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-1,2,4-triazole-3-carboxamide?

The canonical SMILES for 1-(4-fluorophenyl)-5-methyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)Nc2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)nn1-c1ccc(F)cc1.

What is the InChIKey of 1-(4-fluorophenyl)-5-methyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-1,2,4-triazole-3-carboxamide?

The InChIKey is LJSRTWCQVVKYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN6O3/c1-15-27-23(30-32(15)19-12-8-17(26)9-13-19)24(34)28-18-10-6-16(7-11-18)25(35)31-14-22(33)29-20-4-2-3-5-21(20)31/h2-13H,14H2,1H3,(H,28,34)(H,29,33).

What are the key properties of 1-(4-fluorophenyl)-5-methyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-1,2,4-triazole-3-carboxamide?

1-(4-fluorophenyl)-5-methyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 470.46 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluorophenyl)-5-methyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 55751191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).