1-bromo-N-[3-(oxan-2-yloxy)propyl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-amine;3-[[1-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3,4-dihydro-2H-pyran

C38H40Br2F6N8O4 — CID 158276270

About 1-bromo-N-[3-(oxan-2-yloxy)propyl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-amine;3-[[1-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3,4-dihydro-2H-pyran

1-bromo-N-[3-(oxan-2-yloxy)propyl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-amine;3-[[1-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3,4-dihydro-2H-pyran (PubChem CID 158276270) has the molecular formula C38H40Br2F6N8O4 and a molecular weight of 946.59 g/mol. Its IUPAC name is 1-bromo-N-[3-(oxan-2-yloxy)propyl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-amine;3-[[1-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3,4-dihydro-2H-pyran.

Molecular Properties

• Compound Name: 1-bromo-N-[3-(oxan-2-yloxy)propyl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-amine;3-[[1-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3,4-dihydro-2H-pyran
• PubChem CID: 158276270
• Molecular Formula: C38H40Br2F6N8O4
• Molecular Weight: 946.59 g/mol
• Exact Mass: 944.14
• IUPAC Name: 1-bromo-N-[3-(oxan-2-yloxy)propyl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-amine;3-[[1-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3,4-dihydro-2H-pyran
• SMILES: C1=COCCC1.FC(F)(F)c1ccc2c(c1)nc(NCCCOC1CCCCO1)c1ncc(Br)n12.OCCCNc1nc2cc(C(F)(F)F)ccc2n2c(Br)cnc12
• InChI: InChI=1S/C19H20BrF3N4O2.C14H12BrF3N4O.C5H8O/c20-15-11-25-18-17(24-7-3-9-29-16-4-1-2-8-28-16)26-13-10-12(19(21,22)23)5-6-14(13)27(15)18;15-11-7-20-13-12(19-4-1-5-23)21-9-6-8(14(16,17)18)2-3-10(9)22(11)13;1-2-4-6-5-3-1/h5-6,10-11,16H,1-4,7-9H2,(H,24,26);2-3,6-7,23H,1,4-5H2,(H,19,21);2,4H,1,3,5H2
• InChIKey: GJQKBJXABKJHJE-UHFFFAOYSA-N
• XLogP: 9.78
• TPSA: 132.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	946.59
LogP ≤ 5	9.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-[3-(oxan-2-yloxy)propyl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-amine;3-[[1-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3,4-dihydro-2H-pyran?

The IUPAC name of 1-bromo-N-[3-(oxan-2-yloxy)propyl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-amine;3-[[1-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3,4-dihydro-2H-pyran (CID 158276270) is 1-bromo-N-[3-(oxan-2-yloxy)propyl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-amine;3-[[1-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3,4-dihydro-2H-pyran.

What is the SMILES notation for 1-bromo-N-[3-(oxan-2-yloxy)propyl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-amine;3-[[1-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3,4-dihydro-2H-pyran?

The canonical SMILES for 1-bromo-N-[3-(oxan-2-yloxy)propyl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-amine;3-[[1-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3,4-dihydro-2H-pyran is C1=COCCC1.FC(F)(F)c1ccc2c(c1)nc(NCCCOC1CCCCO1)c1ncc(Br)n12.OCCCNc1nc2cc(C(F)(F)F)ccc2n2c(Br)cnc12.

What is the InChIKey of 1-bromo-N-[3-(oxan-2-yloxy)propyl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-amine;3-[[1-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3,4-dihydro-2H-pyran?

The InChIKey is GJQKBJXABKJHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrF3N4O2.C14H12BrF3N4O.C5H8O/c20-15-11-25-18-17(24-7-3-9-29-16-4-1-2-8-28-16)26-13-10-12(19(21,22)23)5-6-14(13)27(15)18;15-11-7-20-13-12(19-4-1-5-23)21-9-6-8(14(16,17)18)2-3-10(9)22(11)13;1-2-4-6-5-3-1/h5-6,10-11,16H,1-4,7-9H2,(H,24,26);2-3,6-7,23H,1,4-5H2,(H,19,21);2,4H,1,3,5H2.

What are the key properties of 1-bromo-N-[3-(oxan-2-yloxy)propyl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-amine;3-[[1-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3,4-dihydro-2H-pyran?

1-bromo-N-[3-(oxan-2-yloxy)propyl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-amine;3-[[1-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3,4-dihydro-2H-pyran has a molecular weight of 946.59 g/mol, XLogP of 9.78, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-N-[3-(oxan-2-yloxy)propyl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-amine;3-[[1-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3,4-dihydro-2H-pyran is sourced from PubChem (CID 158276270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).