N-[(Z)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide

C27H20N4O5 — CID 26368133

About N-[(Z)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide

N-[(Z)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 26368133) has the molecular formula C27H20N4O5 and a molecular weight of 480.48 g/mol. Its IUPAC name is N-[(Z)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

• Compound Name: N-[(Z)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
• PubChem CID: 26368133
• Molecular Formula: C27H20N4O5
• Molecular Weight: 480.48 g/mol
• Exact Mass: 480.14
• IUPAC Name: N-[(Z)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
• SMILES: Cc1ccc(-c2ccc(/C=N\NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)o2)cc1[N+](=O)[O-]
• InChI: InChI=1S/C27H20N4O5/c1-17-10-11-18(14-24(17)31(34)35)25-13-12-19(36-25)15-28-29-26(32)16-30-22-8-4-2-6-20(22)27(33)21-7-3-5-9-23(21)30/h2-15H,16H2,1H3,(H,29,32)/b28-15-
• InChIKey: VTZWLEQDHMEVFG-MBTHVWNTSA-N
• XLogP: 4.78
• TPSA: 119.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.48
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-[(Z)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?

The IUPAC name of N-[(Z)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (CID 26368133) is N-[(Z)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.

What is the SMILES notation for N-[(Z)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?

The canonical SMILES for N-[(Z)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is Cc1ccc(-c2ccc(/C=N\NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)o2)cc1[N+](=O)[O-].

What is the InChIKey of N-[(Z)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?

The InChIKey is VTZWLEQDHMEVFG-MBTHVWNTSA-N. The full InChI is InChI=1S/C27H20N4O5/c1-17-10-11-18(14-24(17)31(34)35)25-13-12-19(36-25)15-28-29-26(32)16-30-22-8-4-2-6-20(22)27(33)21-7-3-5-9-23(21)30/h2-15H,16H2,1H3,(H,29,32)/b28-15-.

What are the key properties of N-[(Z)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?

N-[(Z)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 480.48 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 26368133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).