Alfuzosin

C₁₉H₂₇N₅O₄ — CID 2092

About Alfuzosin

Alfuzosin (PubChem CID 2092) has the molecular formula C₁₉H₂₇N₅O₄ and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide.

Molecular Properties

• Compound Name: Alfuzosin
• PubChem CID: 2092
• Molecular Formula: C₁₉H₂₇N₅O₄
• Molecular Weight: 389.46 g/mol
• Exact Mass: 389.21
• IUPAC Name: N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide
• SMILES: COc1cc2nc(N(C)CCCNC(=O)C3CCCO3)nc(N)c2cc1OC
• InChI: InChI=1S/C19H27N5O4/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23)
• InChIKey: WNMJYKCGWZFFKR-UHFFFAOYSA-N
• XLogP: 1.35
• TPSA: 111.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.46
LogP ≤ 5	1.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Alfuzosin?

The IUPAC name of Alfuzosin (CID 2092) is N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide.

What is the SMILES notation for Alfuzosin?

The canonical SMILES for Alfuzosin is COc1cc2nc(N(C)CCCNC(=O)C3CCCO3)nc(N)c2cc1OC.

What is the InChIKey of Alfuzosin?

The InChIKey is WNMJYKCGWZFFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O4/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23).

What are the key properties of Alfuzosin?

Alfuzosin has a molecular weight of 389.46 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for Alfuzosin is sourced from PubChem (CID 2092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2092 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 115 — approved-drug record (CC BY-SA 4.0)

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