5-(3-methoxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid

C₂₀H₁₅N₃O₃ — CID 50942439

About 5-(3-methoxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid

5-(3-methoxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid (PubChem CID 50942439) has the molecular formula C₂₀H₁₅N₃O₃ and a molecular weight of 345.36 g/mol. Its IUPAC name is 5-(3-methoxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid.

Molecular Properties

• Compound Name: 5-(3-methoxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid
• PubChem CID: 50942439
• Molecular Formula: C₂₀H₁₅N₃O₃
• Molecular Weight: 345.36 g/mol
• Exact Mass: 345.11
• IUPAC Name: 5-(3-methoxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid
• SMILES: COc1cccc(Nc2nc3cc(C(=O)O)ccc3c3cnccc23)c1
• InChI: InChI=1S/C20H15N3O3/c1-26-14-4-2-3-13(10-14)22-19-16-7-8-21-11-17(16)15-6-5-12(20(24)25)9-18(15)23-19/h2-11H,1H3,(H,22,23)(H,24,25)
• InChIKey: ORFKRAIKKNYTFV-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 84.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.36
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid?

The IUPAC name of 5-(3-methoxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid (CID 50942439) is 5-(3-methoxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid.

What is the SMILES notation for 5-(3-methoxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid?

The canonical SMILES for 5-(3-methoxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid is COc1cccc(Nc2nc3cc(C(=O)O)ccc3c3cnccc23)c1.

What is the InChIKey of 5-(3-methoxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid?

The InChIKey is ORFKRAIKKNYTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c1-26-14-4-2-3-13(10-14)22-19-16-7-8-21-11-17(16)15-6-5-12(20(24)25)9-18(15)23-19/h2-11H,1H3,(H,22,23)(H,24,25).

What are the key properties of 5-(3-methoxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid?

5-(3-methoxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid has a molecular weight of 345.36 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-methoxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid is sourced from PubChem (CID 50942439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 50942439 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.