3-bromo-5-quinoxalin-2-yloxyaniline

C14H10BrN3O — CID 103589192

IUPAC3-bromo-5-quinoxalin-2-yloxyaniline
SMILESNc1cc(Br)cc(Oc2cnc3ccccc3n2)c1
InChIInChI=1S/C14H10BrN3O/c15-9-5-10(16)7-11(6-9)19-14-8-17-12-3-1-2-4-13(12)18-14/h1-8H,16H2
InChIKeyLNBVWRQWAFNPST-UHFFFAOYSA-N
MW316.16 g/mol
LogP3.77
Rot. Bonds2

About 3-bromo-5-quinoxalin-2-yloxyaniline

3-bromo-5-quinoxalin-2-yloxyaniline (PubChem CID 103589192) has the molecular formula C14H10BrN3O and a molecular weight of 316.16 g/mol. Its IUPAC name is 3-bromo-5-quinoxalin-2-yloxyaniline.

Molecular Properties

Compound Name3-bromo-5-quinoxalin-2-yloxyaniline
PubChem CID103589192
Molecular FormulaC14H10BrN3O
Molecular Weight316.16 g/mol
Exact Mass315.00
IUPAC Name3-bromo-5-quinoxalin-2-yloxyaniline
SMILESNc1cc(Br)cc(Oc2cnc3ccccc3n2)c1
InChIInChI=1S/C14H10BrN3O/c15-9-5-10(16)7-11(6-9)19-14-8-17-12-3-1-2-4-13(12)18-14/h1-8H,16H2
InChIKeyLNBVWRQWAFNPST-UHFFFAOYSA-N
XLogP3.77
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-quinoxalin-2-yloxyaniline?
The IUPAC name of 3-bromo-5-quinoxalin-2-yloxyaniline (CID 103589192) is 3-bromo-5-quinoxalin-2-yloxyaniline.
What is the SMILES notation for 3-bromo-5-quinoxalin-2-yloxyaniline?
The canonical SMILES for 3-bromo-5-quinoxalin-2-yloxyaniline is Nc1cc(Br)cc(Oc2cnc3ccccc3n2)c1.
What is the InChIKey of 3-bromo-5-quinoxalin-2-yloxyaniline?
The InChIKey is LNBVWRQWAFNPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O/c15-9-5-10(16)7-11(6-9)19-14-8-17-12-3-1-2-4-13(12)18-14/h1-8H,16H2.
What are the key properties of 3-bromo-5-quinoxalin-2-yloxyaniline?
3-bromo-5-quinoxalin-2-yloxyaniline has a molecular weight of 316.16 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-quinoxalin-2-yloxyaniline is sourced from PubChem (CID 103589192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).