3-(3-bromo-5-fluorophenoxy)quinoxalin-2-amine

C14H9BrFN3O — CID 102988317

IUPAC3-(3-bromo-5-fluorophenoxy)quinoxalin-2-amine
SMILESNc1nc2ccccc2nc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C14H9BrFN3O/c15-8-5-9(16)7-10(6-8)20-14-13(17)18-11-3-1-2-4-12(11)19-14/h1-7H,(H2,17,18)
InChIKeyDWMPKTMKVUUNBY-UHFFFAOYSA-N
MW334.15 g/mol
LogP3.91
Rot. Bonds2

About 3-(3-bromo-5-fluorophenoxy)quinoxalin-2-amine

3-(3-bromo-5-fluorophenoxy)quinoxalin-2-amine (PubChem CID 102988317) has the molecular formula C14H9BrFN3O and a molecular weight of 334.15 g/mol. Its IUPAC name is 3-(3-bromo-5-fluorophenoxy)quinoxalin-2-amine.

Molecular Properties

Compound Name3-(3-bromo-5-fluorophenoxy)quinoxalin-2-amine
PubChem CID102988317
Molecular FormulaC14H9BrFN3O
Molecular Weight334.15 g/mol
Exact Mass332.99
IUPAC Name3-(3-bromo-5-fluorophenoxy)quinoxalin-2-amine
SMILESNc1nc2ccccc2nc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C14H9BrFN3O/c15-8-5-9(16)7-10(6-8)20-14-13(17)18-11-3-1-2-4-12(11)19-14/h1-7H,(H2,17,18)
InChIKeyDWMPKTMKVUUNBY-UHFFFAOYSA-N
XLogP3.91
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.15
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-fluorophenoxy)quinoxalin-2-amine?
The IUPAC name of 3-(3-bromo-5-fluorophenoxy)quinoxalin-2-amine (CID 102988317) is 3-(3-bromo-5-fluorophenoxy)quinoxalin-2-amine.
What is the SMILES notation for 3-(3-bromo-5-fluorophenoxy)quinoxalin-2-amine?
The canonical SMILES for 3-(3-bromo-5-fluorophenoxy)quinoxalin-2-amine is Nc1nc2ccccc2nc1Oc1cc(F)cc(Br)c1.
What is the InChIKey of 3-(3-bromo-5-fluorophenoxy)quinoxalin-2-amine?
The InChIKey is DWMPKTMKVUUNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN3O/c15-8-5-9(16)7-10(6-8)20-14-13(17)18-11-3-1-2-4-12(11)19-14/h1-7H,(H2,17,18).
What are the key properties of 3-(3-bromo-5-fluorophenoxy)quinoxalin-2-amine?
3-(3-bromo-5-fluorophenoxy)quinoxalin-2-amine has a molecular weight of 334.15 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-fluorophenoxy)quinoxalin-2-amine is sourced from PubChem (CID 102988317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).