Amoxapine

C₁₇H₁₆ClN₃O — CID 2170

About Amoxapine

Amoxapine (PubChem CID 2170) has the molecular formula C₁₇H₁₆ClN₃O and a molecular weight of 313.79 g/mol. Its IUPAC name is 8-chloro-6-piperazin-1-ylbenzo[b][1,4]benzoxazepine.

Molecular Properties

• Compound Name: Amoxapine
• PubChem CID: 2170
• Molecular Formula: C₁₇H₁₆ClN₃O
• Molecular Weight: 313.79 g/mol
• Exact Mass: 313.10
• IUPAC Name: 8-chloro-6-piperazin-1-ylbenzo[b][1,4]benzoxazepine
• SMILES: Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2
• InChI: InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
• InChIKey: QWGDMFLQWFTERH-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 36.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	313.79
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Amoxapine?

The IUPAC name of Amoxapine (CID 2170) is 8-chloro-6-piperazin-1-ylbenzo[b][1,4]benzoxazepine.

What is the SMILES notation for Amoxapine?

The canonical SMILES for Amoxapine is Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2.

What is the InChIKey of Amoxapine?

The InChIKey is QWGDMFLQWFTERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2.

What are the key properties of Amoxapine?

Amoxapine has a molecular weight of 313.79 g/mol, XLogP of 3.43, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Amoxapine is sourced from PubChem (CID 2170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2170 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 191 — approved-drug record (CC BY-SA 4.0)

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