N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]-2-(3-morpholin-4-ylpropoxy)acetamide

C35H37N3O6 — CID 59335364

About N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]-2-(3-morpholin-4-ylpropoxy)acetamide

N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]-2-(3-morpholin-4-ylpropoxy)acetamide (PubChem CID 59335364) has the molecular formula C35H37N3O6 and a molecular weight of 595.70 g/mol. Its IUPAC name is N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]-2-(3-morpholin-4-ylpropoxy)acetamide.

Molecular Properties

• Compound Name: N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]-2-(3-morpholin-4-ylpropoxy)acetamide
• PubChem CID: 59335364
• Molecular Formula: C35H37N3O6
• Molecular Weight: 595.70 g/mol
• Exact Mass: 595.27
• IUPAC Name: N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]-2-(3-morpholin-4-ylpropoxy)acetamide
• SMILES: O=C(COCCCN1CCOCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2c1-c1ccccc1C2
• InChI: InChI=1S/C35H37N3O6/c39-31-22-33(38-14-19-42-20-15-38)44-35-27(7-3-8-28(31)35)26-9-10-30(34-25-6-2-1-5-24(25)21-29(26)34)36-32(40)23-43-16-4-11-37-12-17-41-18-13-37/h1-3,5-10,22H,4,11-21,23H2,(H,36,40)
• InChIKey: JODAREMUGVICPE-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 93.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	595.70
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	1
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 N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]-2-(3-morpholin-4-ylpropoxy)acetamide?

The IUPAC name of N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]-2-(3-morpholin-4-ylpropoxy)acetamide (CID 59335364) is N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]-2-(3-morpholin-4-ylpropoxy)acetamide.

What is the SMILES notation for N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]-2-(3-morpholin-4-ylpropoxy)acetamide?

The canonical SMILES for N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]-2-(3-morpholin-4-ylpropoxy)acetamide is O=C(COCCCN1CCOCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2c1-c1ccccc1C2.

What is the InChIKey of N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]-2-(3-morpholin-4-ylpropoxy)acetamide?

The InChIKey is JODAREMUGVICPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N3O6/c39-31-22-33(38-14-19-42-20-15-38)44-35-27(7-3-8-28(31)35)26-9-10-30(34-25-6-2-1-5-24(25)21-29(26)34)36-32(40)23-43-16-4-11-37-12-17-41-18-13-37/h1-3,5-10,22H,4,11-21,23H2,(H,36,40).

What are the key properties of N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]-2-(3-morpholin-4-ylpropoxy)acetamide?

N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]-2-(3-morpholin-4-ylpropoxy)acetamide has a molecular weight of 595.70 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]-2-(3-morpholin-4-ylpropoxy)acetamide is sourced from PubChem (CID 59335364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).