4-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5-naphthyridin-2-yl]morpholine

C₁₈H₂₄BN₃O₃ — CID 156726497

About 4-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5-naphthyridin-2-yl]morpholine

4-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5-naphthyridin-2-yl]morpholine (PubChem CID 156726497) has the molecular formula C₁₈H₂₄BN₃O₃ and a molecular weight of 341.22 g/mol. Its IUPAC name is 4-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5-naphthyridin-2-yl]morpholine.

Molecular Properties

• Compound Name: 4-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5-naphthyridin-2-yl]morpholine
• PubChem CID: 156726497
• Molecular Formula: C₁₈H₂₄BN₃O₃
• Molecular Weight: 341.22 g/mol
• Exact Mass: 341.19
• IUPAC Name: 4-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5-naphthyridin-2-yl]morpholine
• SMILES: CC1(C)OB(c2cnc3ccc(N4CCOCC4)nc3c2)OC1(C)C
• InChI: InChI=1S/C18H24BN3O3/c1-17(2)18(3,4)25-19(24-17)13-11-15-14(20-12-13)5-6-16(21-15)22-7-9-23-10-8-22/h5-6,11-12H,7-10H2,1-4H3
• InChIKey: AWHNYJCLZSTJSQ-UHFFFAOYSA-N
• XLogP: 1.77
• TPSA: 56.71 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.22
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5-naphthyridin-2-yl]morpholine?

The IUPAC name of 4-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5-naphthyridin-2-yl]morpholine (CID 156726497) is 4-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5-naphthyridin-2-yl]morpholine.

What is the SMILES notation for 4-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5-naphthyridin-2-yl]morpholine?

The canonical SMILES for 4-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5-naphthyridin-2-yl]morpholine is CC1(C)OB(c2cnc3ccc(N4CCOCC4)nc3c2)OC1(C)C.

What is the InChIKey of 4-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5-naphthyridin-2-yl]morpholine?

The InChIKey is AWHNYJCLZSTJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BN3O3/c1-17(2)18(3,4)25-19(24-17)13-11-15-14(20-12-13)5-6-16(21-15)22-7-9-23-10-8-22/h5-6,11-12H,7-10H2,1-4H3.

What are the key properties of 4-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5-naphthyridin-2-yl]morpholine?

4-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5-naphthyridin-2-yl]morpholine has a molecular weight of 341.22 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 156726497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156726497 — identifiers, structure, computed properties (public domain)

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