2-nitro-7-phenylmethoxy-2H-acridin-1-one

C₂₀H₁₄N₂O₄ — CID 141457475

About 2-nitro-7-phenylmethoxy-2H-acridin-1-one

2-nitro-7-phenylmethoxy-2H-acridin-1-one (PubChem CID 141457475) has the molecular formula C₂₀H₁₄N₂O₄ and a molecular weight of 346.34 g/mol. Its IUPAC name is 2-nitro-7-phenylmethoxy-2H-acridin-1-one.

Molecular Properties

• Compound Name: 2-nitro-7-phenylmethoxy-2H-acridin-1-one
• PubChem CID: 141457475
• Molecular Formula: C₂₀H₁₄N₂O₄
• Molecular Weight: 346.34 g/mol
• Exact Mass: 346.10
• IUPAC Name: 2-nitro-7-phenylmethoxy-2H-acridin-1-one
• SMILES: O=C1c2cc3cc(OCc4ccccc4)ccc3nc2C=CC1[N+](=O)[O-]
• InChI: InChI=1S/C20H14N2O4/c23-20-16-11-14-10-15(26-12-13-4-2-1-3-5-13)6-7-17(14)21-18(16)8-9-19(20)22(24)25/h1-11,19H,12H2
• InChIKey: VVDLJVJSFIKZPZ-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 82.33 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.34
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'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 2-nitro-7-phenylmethoxy-2H-acridin-1-one?

The IUPAC name of 2-nitro-7-phenylmethoxy-2H-acridin-1-one (CID 141457475) is 2-nitro-7-phenylmethoxy-2H-acridin-1-one.

What is the SMILES notation for 2-nitro-7-phenylmethoxy-2H-acridin-1-one?

The canonical SMILES for 2-nitro-7-phenylmethoxy-2H-acridin-1-one is O=C1c2cc3cc(OCc4ccccc4)ccc3nc2C=CC1[N+](=O)[O-].

What is the InChIKey of 2-nitro-7-phenylmethoxy-2H-acridin-1-one?

The InChIKey is VVDLJVJSFIKZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O4/c23-20-16-11-14-10-15(26-12-13-4-2-1-3-5-13)6-7-17(14)21-18(16)8-9-19(20)22(24)25/h1-11,19H,12H2.

What are the key properties of 2-nitro-7-phenylmethoxy-2H-acridin-1-one?

2-nitro-7-phenylmethoxy-2H-acridin-1-one has a molecular weight of 346.34 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-nitro-7-phenylmethoxy-2H-acridin-1-one is sourced from PubChem (CID 141457475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141457475 — identifiers, structure, computed properties (public domain)

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