5-(4-aminonaphthalen-1-yl)oxy-3,4-dihydro-1H-1,8-naphthyridin-2-one

C₁₈H₁₅N₃O₂ — CID 155586354

About 5-(4-aminonaphthalen-1-yl)oxy-3,4-dihydro-1H-1,8-naphthyridin-2-one

5-(4-aminonaphthalen-1-yl)oxy-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 155586354) has the molecular formula C₁₈H₁₅N₃O₂ and a molecular weight of 305.34 g/mol. Its IUPAC name is 5-(4-aminonaphthalen-1-yl)oxy-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

• Compound Name: 5-(4-aminonaphthalen-1-yl)oxy-3,4-dihydro-1H-1,8-naphthyridin-2-one
• PubChem CID: 155586354
• Molecular Formula: C₁₈H₁₅N₃O₂
• Molecular Weight: 305.34 g/mol
• Exact Mass: 305.12
• IUPAC Name: 5-(4-aminonaphthalen-1-yl)oxy-3,4-dihydro-1H-1,8-naphthyridin-2-one
• SMILES: Nc1ccc(Oc2ccnc3c2CCC(=O)N3)c2ccccc12
• InChI: InChI=1S/C18H15N3O2/c19-14-6-7-15(12-4-2-1-3-11(12)14)23-16-9-10-20-18-13(16)5-8-17(22)21-18/h1-4,6-7,9-10H,5,8,19H2,(H,20,21,22)
• InChIKey: CQWWMWTUSBZOGY-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 77.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	305.34
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminonaphthalen-1-yl)oxy-3,4-dihydro-1H-1,8-naphthyridin-2-one?

The IUPAC name of 5-(4-aminonaphthalen-1-yl)oxy-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 155586354) is 5-(4-aminonaphthalen-1-yl)oxy-3,4-dihydro-1H-1,8-naphthyridin-2-one.

What is the SMILES notation for 5-(4-aminonaphthalen-1-yl)oxy-3,4-dihydro-1H-1,8-naphthyridin-2-one?

The canonical SMILES for 5-(4-aminonaphthalen-1-yl)oxy-3,4-dihydro-1H-1,8-naphthyridin-2-one is Nc1ccc(Oc2ccnc3c2CCC(=O)N3)c2ccccc12.

What is the InChIKey of 5-(4-aminonaphthalen-1-yl)oxy-3,4-dihydro-1H-1,8-naphthyridin-2-one?

The InChIKey is CQWWMWTUSBZOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c19-14-6-7-15(12-4-2-1-3-11(12)14)23-16-9-10-20-18-13(16)5-8-17(22)21-18/h1-4,6-7,9-10H,5,8,19H2,(H,20,21,22).

What are the key properties of 5-(4-aminonaphthalen-1-yl)oxy-3,4-dihydro-1H-1,8-naphthyridin-2-one?

5-(4-aminonaphthalen-1-yl)oxy-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 305.34 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-aminonaphthalen-1-yl)oxy-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 155586354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155586354 — identifiers, structure, computed properties (public domain)

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