3-quinoxalin-2-ylaniline

C14H11N3 — CID 807264

IUPAC3-quinoxalin-2-ylaniline
SMILESNc1cccc(-c2cnc3ccccc3n2)c1
InChIInChI=1S/C14H11N3/c15-11-5-3-4-10(8-11)14-9-16-12-6-1-2-7-13(12)17-14/h1-9H,15H2
InChIKeyFTKCJWKPAZRHTL-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.88
Rot. Bonds1

About 3-quinoxalin-2-ylaniline

3-quinoxalin-2-ylaniline (PubChem CID 807264) has the molecular formula C14H11N3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-quinoxalin-2-ylaniline.

Molecular Properties

Compound Name3-quinoxalin-2-ylaniline
PubChem CID807264
Molecular FormulaC14H11N3
Molecular Weight221.26 g/mol
Exact Mass221.10
IUPAC Name3-quinoxalin-2-ylaniline
SMILESNc1cccc(-c2cnc3ccccc3n2)c1
InChIInChI=1S/C14H11N3/c15-11-5-3-4-10(8-11)14-9-16-12-6-1-2-7-13(12)17-14/h1-9H,15H2
InChIKeyFTKCJWKPAZRHTL-UHFFFAOYSA-N
XLogP2.88
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-quinoxalin-2-ylaniline?
The IUPAC name of 3-quinoxalin-2-ylaniline (CID 807264) is 3-quinoxalin-2-ylaniline.
What is the SMILES notation for 3-quinoxalin-2-ylaniline?
The canonical SMILES for 3-quinoxalin-2-ylaniline is Nc1cccc(-c2cnc3ccccc3n2)c1.
What is the InChIKey of 3-quinoxalin-2-ylaniline?
The InChIKey is FTKCJWKPAZRHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3/c15-11-5-3-4-10(8-11)14-9-16-12-6-1-2-7-13(12)17-14/h1-9H,15H2.
What are the key properties of 3-quinoxalin-2-ylaniline?
3-quinoxalin-2-ylaniline has a molecular weight of 221.26 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinoxalin-2-ylaniline is sourced from PubChem (CID 807264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).