N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide

C26H18ClN3O3 — CID 3535035

About N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide

N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 3535035) has the molecular formula C26H18ClN3O3 and a molecular weight of 455.90 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

• Compound Name: N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
• PubChem CID: 3535035
• Molecular Formula: C26H18ClN3O3
• Molecular Weight: 455.90 g/mol
• Exact Mass: 455.10
• IUPAC Name: N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
• SMILES: O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1ccc(-c2ccc(Cl)cc2)o1
• InChI: InChI=1S/C26H18ClN3O3/c27-18-11-9-17(10-12-18)24-14-13-19(33-24)15-28-29-25(31)16-30-22-7-3-1-5-20(22)26(32)21-6-2-4-8-23(21)30/h1-15H,16H2,(H,29,31)
• InChIKey: REXJFUCUJMDHHC-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 76.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.90
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?

The IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (CID 3535035) is N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.

What is the SMILES notation for N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?

The canonical SMILES for N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1ccc(-c2ccc(Cl)cc2)o1.

What is the InChIKey of N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?

The InChIKey is REXJFUCUJMDHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClN3O3/c27-18-11-9-17(10-12-18)24-14-13-19(33-24)15-28-29-25(31)16-30-22-7-3-1-5-20(22)26(32)21-6-2-4-8-23(21)30/h1-15H,16H2,(H,29,31).

What are the key properties of N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?

N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 455.90 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 3535035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).