Doxazosin

C₂₃H₂₅N₅O₅ — CID 3157

About Doxazosin

Doxazosin (PubChem CID 3157) has the molecular formula C₂₃H₂₅N₅O₅ and a molecular weight of 451.48 g/mol. Its IUPAC name is [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone.

Molecular Properties

• Compound Name: Doxazosin
• PubChem CID: 3157
• Molecular Formula: C₂₃H₂₅N₅O₅
• Molecular Weight: 451.48 g/mol
• Exact Mass: 451.19
• IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
• SMILES: COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC
• InChI: InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)
• InChIKey: RUZYUOTYCVRMRZ-UHFFFAOYSA-N
• XLogP: 1.72
• TPSA: 112.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.48
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of Doxazosin?

The IUPAC name of Doxazosin (CID 3157) is [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone.

What is the SMILES notation for Doxazosin?

The canonical SMILES for Doxazosin is COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC.

What is the InChIKey of Doxazosin?

The InChIKey is RUZYUOTYCVRMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26).

What are the key properties of Doxazosin?

Doxazosin has a molecular weight of 451.48 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for Doxazosin is sourced from PubChem (CID 3157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3157 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 954 — approved-drug record (CC BY-SA 4.0)

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