7-(1-benzofuran-6-yl)-1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonan-5-one

C25H30N2O2 — CID 22082680

About 7-(1-benzofuran-6-yl)-1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonan-5-one

7-(1-benzofuran-6-yl)-1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonan-5-one (PubChem CID 22082680) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 7-(1-benzofuran-6-yl)-1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonan-5-one.

Molecular Properties

• Compound Name: 7-(1-benzofuran-6-yl)-1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonan-5-one
• PubChem CID: 22082680
• Molecular Formula: C25H30N2O2
• Molecular Weight: 390.53 g/mol
• Exact Mass: 390.23
• IUPAC Name: 7-(1-benzofuran-6-yl)-1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonan-5-one
• SMILES: CCC(CC(=O)CCCCc1ccc2c(n1)NCCC2)c1ccc2ccoc2c1
• InChI: InChI=1S/C25H30N2O2/c1-2-18(21-10-9-19-13-15-29-24(19)17-21)16-23(28)8-4-3-7-22-12-11-20-6-5-14-26-25(20)27-22/h9-13,15,17-18H,2-8,14,16H2,1H3,(H,26,27)
• InChIKey: OFXXCLUKBCRIAV-UHFFFAOYSA-N
• XLogP: 6.05
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	390.53
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(1-benzofuran-6-yl)-1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonan-5-one?

The IUPAC name of 7-(1-benzofuran-6-yl)-1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonan-5-one (CID 22082680) is 7-(1-benzofuran-6-yl)-1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonan-5-one.

What is the SMILES notation for 7-(1-benzofuran-6-yl)-1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonan-5-one?

The canonical SMILES for 7-(1-benzofuran-6-yl)-1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonan-5-one is CCC(CC(=O)CCCCc1ccc2c(n1)NCCC2)c1ccc2ccoc2c1.

What is the InChIKey of 7-(1-benzofuran-6-yl)-1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonan-5-one?

The InChIKey is OFXXCLUKBCRIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-2-18(21-10-9-19-13-15-29-24(19)17-21)16-23(28)8-4-3-7-22-12-11-20-6-5-14-26-25(20)27-22/h9-13,15,17-18H,2-8,14,16H2,1H3,(H,26,27).

What are the key properties of 7-(1-benzofuran-6-yl)-1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonan-5-one?

7-(1-benzofuran-6-yl)-1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonan-5-one has a molecular weight of 390.53 g/mol, XLogP of 6.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(1-benzofuran-6-yl)-1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonan-5-one is sourced from PubChem (CID 22082680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).