5-anilinobenzo[h][1,6]naphthyridine-8-carboxylic acid

C₁₉H₁₃N₃O₂ — CID 50942725

About 5-anilinobenzo[h][1,6]naphthyridine-8-carboxylic acid

5-anilinobenzo[h][1,6]naphthyridine-8-carboxylic acid (PubChem CID 50942725) has the molecular formula C₁₉H₁₃N₃O₂ and a molecular weight of 315.33 g/mol. Its IUPAC name is 5-anilinobenzo[h][1,6]naphthyridine-8-carboxylic acid.

Molecular Properties

• Compound Name: 5-anilinobenzo[h][1,6]naphthyridine-8-carboxylic acid
• PubChem CID: 50942725
• Molecular Formula: C₁₉H₁₃N₃O₂
• Molecular Weight: 315.33 g/mol
• Exact Mass: 315.10
• IUPAC Name: 5-anilinobenzo[h][1,6]naphthyridine-8-carboxylic acid
• SMILES: O=C(O)c1ccc2c(c1)nc(Nc1ccccc1)c1cccnc12
• InChI: InChI=1S/C19H13N3O2/c23-19(24)12-8-9-14-16(11-12)22-18(15-7-4-10-20-17(14)15)21-13-5-2-1-3-6-13/h1-11H,(H,21,22)(H,23,24)
• InChIKey: BLFIBJASYWMFTO-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 75.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	315.33
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-anilinobenzo[h][1,6]naphthyridine-8-carboxylic acid?

The IUPAC name of 5-anilinobenzo[h][1,6]naphthyridine-8-carboxylic acid (CID 50942725) is 5-anilinobenzo[h][1,6]naphthyridine-8-carboxylic acid.

What is the SMILES notation for 5-anilinobenzo[h][1,6]naphthyridine-8-carboxylic acid?

The canonical SMILES for 5-anilinobenzo[h][1,6]naphthyridine-8-carboxylic acid is O=C(O)c1ccc2c(c1)nc(Nc1ccccc1)c1cccnc12.

What is the InChIKey of 5-anilinobenzo[h][1,6]naphthyridine-8-carboxylic acid?

The InChIKey is BLFIBJASYWMFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2/c23-19(24)12-8-9-14-16(11-12)22-18(15-7-4-10-20-17(14)15)21-13-5-2-1-3-6-13/h1-11H,(H,21,22)(H,23,24).

What are the key properties of 5-anilinobenzo[h][1,6]naphthyridine-8-carboxylic acid?

5-anilinobenzo[h][1,6]naphthyridine-8-carboxylic acid has a molecular weight of 315.33 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-anilinobenzo[h][1,6]naphthyridine-8-carboxylic acid is sourced from PubChem (CID 50942725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 50942725 — identifiers, structure, computed properties (public domain)

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