N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide

C26H17Cl2N3O3 — CID 46495734

About N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide

N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 46495734) has the molecular formula C26H17Cl2N3O3 and a molecular weight of 490.35 g/mol. Its IUPAC name is N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

• Compound Name: N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
• PubChem CID: 46495734
• Molecular Formula: C26H17Cl2N3O3
• Molecular Weight: 490.35 g/mol
• Exact Mass: 489.06
• IUPAC Name: N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
• SMILES: O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1
• InChI: InChI=1S/C26H17Cl2N3O3/c27-16-9-11-21(28)20(13-16)24-12-10-17(34-24)14-29-30-25(32)15-31-22-7-3-1-5-18(22)26(33)19-6-2-4-8-23(19)31/h1-14H,15H2,(H,30,32)/b29-14+
• InChIKey: OXCQOBWTGJKBQK-IPPBACCNSA-N
• XLogP: 5.87
• TPSA: 76.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.35
LogP ≤ 5	5.87
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-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?

The IUPAC name of N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (CID 46495734) is N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.

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

The canonical SMILES for N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1.

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

The InChIKey is OXCQOBWTGJKBQK-IPPBACCNSA-N. The full InChI is InChI=1S/C26H17Cl2N3O3/c27-16-9-11-21(28)20(13-16)24-12-10-17(34-24)14-29-30-25(32)15-31-22-7-3-1-5-18(22)26(33)19-6-2-4-8-23(19)31/h1-14H,15H2,(H,30,32)/b29-14+.

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

N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 490.35 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 46495734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).