Proflavine

C₁₃H₁₁N₃ — CID 7099

About Proflavine

Proflavine (PubChem CID 7099) has the molecular formula C₁₃H₁₁N₃ and a molecular weight of 209.25 g/mol. Its IUPAC name is acridine-3,6-diamine.

Molecular Properties

• Compound Name: Proflavine
• PubChem CID: 7099
• Molecular Formula: C₁₃H₁₁N₃
• Molecular Weight: 209.25 g/mol
• Exact Mass: 209.10
• IUPAC Name: acridine-3,6-diamine
• SMILES: Nc1ccc2cc3ccc(N)cc3nc2c1
• InChI: InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2
• InChIKey: WDVSHHCDHLJJJR-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 64.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	209.25
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Proflavine?

The IUPAC name of Proflavine (CID 7099) is acridine-3,6-diamine.

What is the SMILES notation for Proflavine?

The canonical SMILES for Proflavine is Nc1ccc2cc3ccc(N)cc3nc2c1.

What is the InChIKey of Proflavine?

The InChIKey is WDVSHHCDHLJJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2.

What are the key properties of Proflavine?

Proflavine has a molecular weight of 209.25 g/mol, XLogP of 2.55, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Proflavine is sourced from PubChem (CID 7099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 7099 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2277 — approved-drug record (CC BY-SA 4.0)

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