2-phenylquinoxalin-6-amine

C14H11N3 — CID 817513

IUPAC2-phenylquinoxalin-6-amine
SMILESNc1ccc2nc(-c3ccccc3)cnc2c1
InChIInChI=1S/C14H11N3/c15-11-6-7-12-13(8-11)16-9-14(17-12)10-4-2-1-3-5-10/h1-9H,15H2
InChIKeyVGCQJYNBINGZKO-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.88
Rot. Bonds1

About 2-phenylquinoxalin-6-amine

2-phenylquinoxalin-6-amine (PubChem CID 817513) has the molecular formula C14H11N3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-phenylquinoxalin-6-amine.

Molecular Properties

Compound Name2-phenylquinoxalin-6-amine
PubChem CID817513
Molecular FormulaC14H11N3
Molecular Weight221.26 g/mol
Exact Mass221.10
IUPAC Name2-phenylquinoxalin-6-amine
SMILESNc1ccc2nc(-c3ccccc3)cnc2c1
InChIInChI=1S/C14H11N3/c15-11-6-7-12-13(8-11)16-9-14(17-12)10-4-2-1-3-5-10/h1-9H,15H2
InChIKeyVGCQJYNBINGZKO-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 2-phenylquinoxalin-6-amine?
The IUPAC name of 2-phenylquinoxalin-6-amine (CID 817513) is 2-phenylquinoxalin-6-amine.
What is the SMILES notation for 2-phenylquinoxalin-6-amine?
The canonical SMILES for 2-phenylquinoxalin-6-amine is Nc1ccc2nc(-c3ccccc3)cnc2c1.
What is the InChIKey of 2-phenylquinoxalin-6-amine?
The InChIKey is VGCQJYNBINGZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3/c15-11-6-7-12-13(8-11)16-9-14(17-12)10-4-2-1-3-5-10/h1-9H,15H2.
What are the key properties of 2-phenylquinoxalin-6-amine?
2-phenylquinoxalin-6-amine 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 2-phenylquinoxalin-6-amine is sourced from PubChem (CID 817513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).