ethyl 6-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]hexanoate

C26H33N3O3 — CID 91095666

About ethyl 6-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]hexanoate

ethyl 6-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]hexanoate (PubChem CID 91095666) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is ethyl 6-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]hexanoate.

Molecular Properties

• Compound Name: ethyl 6-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]hexanoate
• PubChem CID: 91095666
• Molecular Formula: C26H33N3O3
• Molecular Weight: 435.57 g/mol
• Exact Mass: 435.25
• IUPAC Name: ethyl 6-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]hexanoate
• SMILES: CCOC(=O)CCCCCn1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21
• InChI: InChI=1S/C26H33N3O3/c1-2-31-25(30)8-4-3-5-16-29-17-13-21-19-23(11-12-24(21)29)32-18-14-22-10-9-20-7-6-15-27-26(20)28-22/h9-13,17,19H,2-8,14-16,18H2,1H3,(H,27,28)
• InChIKey: CRYHAOQTGKDYKI-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.57
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]hexanoate?

The IUPAC name of ethyl 6-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]hexanoate (CID 91095666) is ethyl 6-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]hexanoate.

What is the SMILES notation for ethyl 6-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]hexanoate?

The canonical SMILES for ethyl 6-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]hexanoate is CCOC(=O)CCCCCn1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21.

What is the InChIKey of ethyl 6-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]hexanoate?

The InChIKey is CRYHAOQTGKDYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-2-31-25(30)8-4-3-5-16-29-17-13-21-19-23(11-12-24(21)29)32-18-14-22-10-9-20-7-6-15-27-26(20)28-22/h9-13,17,19H,2-8,14-16,18H2,1H3,(H,27,28).

What are the key properties of ethyl 6-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]hexanoate?

ethyl 6-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]hexanoate has a molecular weight of 435.57 g/mol, XLogP of 5.14, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 6-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]hexanoate is sourced from PubChem (CID 91095666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).