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

C22H15IN4O5 — CID 136829057

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

N-[(Z)-(4-hydroxy-3-iodo-5-nitrophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 136829057) has the molecular formula C22H15IN4O5 and a molecular weight of 542.29 g/mol. Its IUPAC name is N-[(Z)-(4-hydroxy-3-iodo-5-nitrophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

• Compound Name: N-[(Z)-(4-hydroxy-3-iodo-5-nitrophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
• PubChem CID: 136829057
• Molecular Formula: C22H15IN4O5
• Molecular Weight: 542.29 g/mol
• Exact Mass: 542.01
• IUPAC Name: N-[(Z)-(4-hydroxy-3-iodo-5-nitrophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
• SMILES: O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C\c1cc(I)c(O)c([N+](=O)[O-])c1
• InChI: InChI=1S/C22H15IN4O5/c23-16-9-13(10-19(22(16)30)27(31)32)11-24-25-20(28)12-26-17-7-3-1-5-14(17)21(29)15-6-2-4-8-18(15)26/h1-11,30H,12H2,(H,25,28)/b24-11-
• InChIKey: VLHPMGLSGQFBDG-MYKKPKGFSA-N
• XLogP: 3.52
• TPSA: 126.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.29
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-hydroxy-3-iodo-5-nitrophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?

The IUPAC name of N-[(Z)-(4-hydroxy-3-iodo-5-nitrophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (CID 136829057) is N-[(Z)-(4-hydroxy-3-iodo-5-nitrophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.

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

The canonical SMILES for N-[(Z)-(4-hydroxy-3-iodo-5-nitrophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C\c1cc(I)c(O)c([N+](=O)[O-])c1.

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

The InChIKey is VLHPMGLSGQFBDG-MYKKPKGFSA-N. The full InChI is InChI=1S/C22H15IN4O5/c23-16-9-13(10-19(22(16)30)27(31)32)11-24-25-20(28)12-26-17-7-3-1-5-14(17)21(29)15-6-2-4-8-18(15)26/h1-11,30H,12H2,(H,25,28)/b24-11-.

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

N-[(Z)-(4-hydroxy-3-iodo-5-nitrophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 542.29 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-(4-hydroxy-3-iodo-5-nitrophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 136829057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).