7-(5-bromo-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one

C25H23BrN4O3 — CID 58574947

About 7-(5-bromo-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one

7-(5-bromo-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one (PubChem CID 58574947) has the molecular formula C25H23BrN4O3 and a molecular weight of 507.39 g/mol. Its IUPAC name is 7-(5-bromo-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

• Compound Name: 7-(5-bromo-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
• PubChem CID: 58574947
• Molecular Formula: C25H23BrN4O3
• Molecular Weight: 507.39 g/mol
• Exact Mass: 506.10
• IUPAC Name: 7-(5-bromo-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
• SMILES: Cc1cc2c(cc1C(=O)N1CCc3cc(Br)ccc31)[nH]c(=O)c1cnc(C3CCOCC3)n12
• InChI: InChI=1S/C25H23BrN4O3/c1-14-10-21-19(12-18(14)25(32)29-7-4-16-11-17(26)2-3-20(16)29)28-24(31)22-13-27-23(30(21)22)15-5-8-33-9-6-15/h2-3,10-13,15H,4-9H2,1H3,(H,28,31)
• InChIKey: SOEJSKVTOSAPMI-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 79.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.39
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-(5-bromo-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?

The IUPAC name of 7-(5-bromo-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one (CID 58574947) is 7-(5-bromo-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one.

What is the SMILES notation for 7-(5-bromo-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?

The canonical SMILES for 7-(5-bromo-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is Cc1cc2c(cc1C(=O)N1CCc3cc(Br)ccc31)[nH]c(=O)c1cnc(C3CCOCC3)n12.

What is the InChIKey of 7-(5-bromo-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?

The InChIKey is SOEJSKVTOSAPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23BrN4O3/c1-14-10-21-19(12-18(14)25(32)29-7-4-16-11-17(26)2-3-20(16)29)28-24(31)22-13-27-23(30(21)22)15-5-8-33-9-6-15/h2-3,10-13,15H,4-9H2,1H3,(H,28,31).

What are the key properties of 7-(5-bromo-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?

7-(5-bromo-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 507.39 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(5-bromo-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 58574947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).