3-[[8-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol

C14H12BrF3N4O — CID 59333307

IUPAC3-[[8-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
SMILESOCCCNc1nc2cc(C(F)(F)F)c(Br)cc2n2ccnc12
InChIInChI=1S/C14H12BrF3N4O/c15-9-7-11-10(6-8(9)14(16,17)18)21-12(19-2-1-5-23)13-20-3-4-22(11)13/h3-4,6-7,23H,1-2,5H2,(H,19,21)
InChIKeyVJLVPXMXNFHJNP-UHFFFAOYSA-N
MW389.18 g/mol
LogP3.46
Rot. Bonds4

About 3-[[8-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol

3-[[8-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol (PubChem CID 59333307) has the molecular formula C14H12BrF3N4O and a molecular weight of 389.18 g/mol. Its IUPAC name is 3-[[8-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[8-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
PubChem CID59333307
Molecular FormulaC14H12BrF3N4O
Molecular Weight389.18 g/mol
Exact Mass388.01
IUPAC Name3-[[8-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
SMILESOCCCNc1nc2cc(C(F)(F)F)c(Br)cc2n2ccnc12
InChIInChI=1S/C14H12BrF3N4O/c15-9-7-11-10(6-8(9)14(16,17)18)21-12(19-2-1-5-23)13-20-3-4-22(11)13/h3-4,6-7,23H,1-2,5H2,(H,19,21)
InChIKeyVJLVPXMXNFHJNP-UHFFFAOYSA-N
XLogP3.46
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.18
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[8-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?
The IUPAC name of 3-[[8-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol (CID 59333307) is 3-[[8-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[8-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[8-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol is OCCCNc1nc2cc(C(F)(F)F)c(Br)cc2n2ccnc12.
What is the InChIKey of 3-[[8-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?
The InChIKey is VJLVPXMXNFHJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF3N4O/c15-9-7-11-10(6-8(9)14(16,17)18)21-12(19-2-1-5-23)13-20-3-4-22(11)13/h3-4,6-7,23H,1-2,5H2,(H,19,21).
What are the key properties of 3-[[8-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?
3-[[8-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol has a molecular weight of 389.18 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[8-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 59333307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).