1-[1-(2-chlorophenyl)-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-yl]-2-(8-methoxy-3-methyl-1-propylimidazo[1,5-a]quinoxalin-4-yl)hydrazine

C32H28ClFN8O — CID 68737225

About 1-[1-(2-chlorophenyl)-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-yl]-2-(8-methoxy-3-methyl-1-propylimidazo[1,5-a]quinoxalin-4-yl)hydrazine

1-[1-(2-chlorophenyl)-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-yl]-2-(8-methoxy-3-methyl-1-propylimidazo[1,5-a]quinoxalin-4-yl)hydrazine (PubChem CID 68737225) has the molecular formula C32H28ClFN8O and a molecular weight of 595.08 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-yl]-2-(8-methoxy-3-methyl-1-propylimidazo[1,5-a]quinoxalin-4-yl)hydrazine.

Molecular Properties

• Compound Name: 1-[1-(2-chlorophenyl)-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-yl]-2-(8-methoxy-3-methyl-1-propylimidazo[1,5-a]quinoxalin-4-yl)hydrazine
• PubChem CID: 68737225
• Molecular Formula: C32H28ClFN8O
• Molecular Weight: 595.08 g/mol
• Exact Mass: 594.21
• IUPAC Name: 1-[1-(2-chlorophenyl)-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-yl]-2-(8-methoxy-3-methyl-1-propylimidazo[1,5-a]quinoxalin-4-yl)hydrazine
• SMILES: CCCc1nc(C)c2c(NNc3nc4ccc(F)cc4n4c(-c5ccccc5Cl)nc(C)c34)nc3ccc(OC)cc3n12
• InChI: InChI=1S/C32H28ClFN8O/c1-5-8-27-35-17(2)28-30(38-24-14-12-20(43-4)16-26(24)41(27)28)39-40-31-29-18(3)36-32(21-9-6-7-10-22(21)33)42(29)25-15-19(34)11-13-23(25)37-31/h6-7,9-16H,5,8H2,1-4H3,(H,37,40)(H,38,39)
• InChIKey: AEFTVGFWXWCBOD-UHFFFAOYSA-N
• XLogP: 7.55
• TPSA: 93.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	595.08
LogP ≤ 5	7.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-yl]-2-(8-methoxy-3-methyl-1-propylimidazo[1,5-a]quinoxalin-4-yl)hydrazine?

The IUPAC name of 1-[1-(2-chlorophenyl)-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-yl]-2-(8-methoxy-3-methyl-1-propylimidazo[1,5-a]quinoxalin-4-yl)hydrazine (CID 68737225) is 1-[1-(2-chlorophenyl)-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-yl]-2-(8-methoxy-3-methyl-1-propylimidazo[1,5-a]quinoxalin-4-yl)hydrazine.

What is the SMILES notation for 1-[1-(2-chlorophenyl)-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-yl]-2-(8-methoxy-3-methyl-1-propylimidazo[1,5-a]quinoxalin-4-yl)hydrazine?

The canonical SMILES for 1-[1-(2-chlorophenyl)-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-yl]-2-(8-methoxy-3-methyl-1-propylimidazo[1,5-a]quinoxalin-4-yl)hydrazine is CCCc1nc(C)c2c(NNc3nc4ccc(F)cc4n4c(-c5ccccc5Cl)nc(C)c34)nc3ccc(OC)cc3n12.

What is the InChIKey of 1-[1-(2-chlorophenyl)-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-yl]-2-(8-methoxy-3-methyl-1-propylimidazo[1,5-a]quinoxalin-4-yl)hydrazine?

The InChIKey is AEFTVGFWXWCBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28ClFN8O/c1-5-8-27-35-17(2)28-30(38-24-14-12-20(43-4)16-26(24)41(27)28)39-40-31-29-18(3)36-32(21-9-6-7-10-22(21)33)42(29)25-15-19(34)11-13-23(25)37-31/h6-7,9-16H,5,8H2,1-4H3,(H,37,40)(H,38,39).

What are the key properties of 1-[1-(2-chlorophenyl)-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-yl]-2-(8-methoxy-3-methyl-1-propylimidazo[1,5-a]quinoxalin-4-yl)hydrazine?

1-[1-(2-chlorophenyl)-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-yl]-2-(8-methoxy-3-methyl-1-propylimidazo[1,5-a]quinoxalin-4-yl)hydrazine has a molecular weight of 595.08 g/mol, XLogP of 7.55, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(2-chlorophenyl)-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-yl]-2-(8-methoxy-3-methyl-1-propylimidazo[1,5-a]quinoxalin-4-yl)hydrazine is sourced from PubChem (CID 68737225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).