Bunazosin

C₁₉H₂₇N₅O₃ — CID 2472

About Bunazosin

Bunazosin (PubChem CID 2472) has the molecular formula C₁₉H₂₇N₅O₃ and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]butan-1-one.

Molecular Properties

• Compound Name: Bunazosin
• PubChem CID: 2472
• Molecular Formula: C₁₉H₂₇N₅O₃
• Molecular Weight: 373.46 g/mol
• Exact Mass: 373.21
• IUPAC Name: 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]butan-1-one
• SMILES: CCCC(=O)N1CCCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1
• InChI: InChI=1S/C19H27N5O3/c1-4-6-17(25)23-7-5-8-24(10-9-23)19-21-14-12-16(27-3)15(26-2)11-13(14)18(20)22-19/h11-12H,4-10H2,1-3H3,(H2,20,21,22)
• InChIKey: RHLJLALHBZGAFM-UHFFFAOYSA-N
• XLogP: 2.07
• TPSA: 93.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.46
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of Bunazosin?

The IUPAC name of Bunazosin (CID 2472) is 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]butan-1-one.

What is the SMILES notation for Bunazosin?

The canonical SMILES for Bunazosin is CCCC(=O)N1CCCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1.

What is the InChIKey of Bunazosin?

The InChIKey is RHLJLALHBZGAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-4-6-17(25)23-7-5-8-24(10-9-23)19-21-14-12-16(27-3)15(26-2)11-13(14)18(20)22-19/h11-12H,4-10H2,1-3H3,(H2,20,21,22).

What are the key properties of Bunazosin?

Bunazosin has a molecular weight of 373.46 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for Bunazosin is sourced from PubChem (CID 2472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2472 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 429 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.