5-hydroxy-7-[3-[4-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperazin-1-yl]propoxy]chromen-4-one

C32H38N4O4 — CID 73357092

About 5-hydroxy-7-[3-[4-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperazin-1-yl]propoxy]chromen-4-one

5-hydroxy-7-[3-[4-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperazin-1-yl]propoxy]chromen-4-one (PubChem CID 73357092) has the molecular formula C32H38N4O4 and a molecular weight of 542.68 g/mol. Its IUPAC name is 5-hydroxy-7-[3-[4-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperazin-1-yl]propoxy]chromen-4-one.

Molecular Properties

• Compound Name: 5-hydroxy-7-[3-[4-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperazin-1-yl]propoxy]chromen-4-one
• PubChem CID: 73357092
• Molecular Formula: C32H38N4O4
• Molecular Weight: 542.68 g/mol
• Exact Mass: 542.29
• IUPAC Name: 5-hydroxy-7-[3-[4-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperazin-1-yl]propoxy]chromen-4-one
• SMILES: O=c1ccoc2cc(OCCCN3CCN(CCCNc4c5c(nc6ccccc46)CCCC5)CC3)cc(O)c12
• InChI: InChI=1S/C32H38N4O4/c37-28-11-20-40-30-22-23(21-29(38)31(28)30)39-19-6-14-36-17-15-35(16-18-36)13-5-12-33-32-24-7-1-3-9-26(24)34-27-10-4-2-8-25(27)32/h1,3,7,9,11,20-22,38H,2,4-6,8,10,12-19H2,(H,33,34)
• InChIKey: CCSIEQWILAQNOJ-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 91.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.68
LogP ≤ 5	4.81
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 5-hydroxy-7-[3-[4-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperazin-1-yl]propoxy]chromen-4-one?

The IUPAC name of 5-hydroxy-7-[3-[4-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperazin-1-yl]propoxy]chromen-4-one (CID 73357092) is 5-hydroxy-7-[3-[4-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperazin-1-yl]propoxy]chromen-4-one.

What is the SMILES notation for 5-hydroxy-7-[3-[4-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperazin-1-yl]propoxy]chromen-4-one?

The canonical SMILES for 5-hydroxy-7-[3-[4-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperazin-1-yl]propoxy]chromen-4-one is O=c1ccoc2cc(OCCCN3CCN(CCCNc4c5c(nc6ccccc46)CCCC5)CC3)cc(O)c12.

What is the InChIKey of 5-hydroxy-7-[3-[4-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperazin-1-yl]propoxy]chromen-4-one?

The InChIKey is CCSIEQWILAQNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N4O4/c37-28-11-20-40-30-22-23(21-29(38)31(28)30)39-19-6-14-36-17-15-35(16-18-36)13-5-12-33-32-24-7-1-3-9-26(24)34-27-10-4-2-8-25(27)32/h1,3,7,9,11,20-22,38H,2,4-6,8,10,12-19H2,(H,33,34).

What are the key properties of 5-hydroxy-7-[3-[4-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperazin-1-yl]propoxy]chromen-4-one?

5-hydroxy-7-[3-[4-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperazin-1-yl]propoxy]chromen-4-one has a molecular weight of 542.68 g/mol, XLogP of 4.81, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-hydroxy-7-[3-[4-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperazin-1-yl]propoxy]chromen-4-one is sourced from PubChem (CID 73357092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).