6-phenylmethoxy-1-[3-[4-(trifluoromethoxy)phenoxy]propyl]-3,4-dihydro-2H-quinoline

C26H26F3NO3 — CID 70873537

About 6-phenylmethoxy-1-[3-[4-(trifluoromethoxy)phenoxy]propyl]-3,4-dihydro-2H-quinoline

6-phenylmethoxy-1-[3-[4-(trifluoromethoxy)phenoxy]propyl]-3,4-dihydro-2H-quinoline (PubChem CID 70873537) has the molecular formula C26H26F3NO3 and a molecular weight of 457.49 g/mol. Its IUPAC name is 6-phenylmethoxy-1-[3-[4-(trifluoromethoxy)phenoxy]propyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

• Compound Name: 6-phenylmethoxy-1-[3-[4-(trifluoromethoxy)phenoxy]propyl]-3,4-dihydro-2H-quinoline
• PubChem CID: 70873537
• Molecular Formula: C26H26F3NO3
• Molecular Weight: 457.49 g/mol
• Exact Mass: 457.19
• IUPAC Name: 6-phenylmethoxy-1-[3-[4-(trifluoromethoxy)phenoxy]propyl]-3,4-dihydro-2H-quinoline
• SMILES: FC(F)(F)Oc1ccc(OCCCN2CCCc3cc(OCc4ccccc4)ccc32)cc1
• InChI: InChI=1S/C26H26F3NO3/c27-26(28,29)33-23-11-9-22(10-12-23)31-17-5-16-30-15-4-8-21-18-24(13-14-25(21)30)32-19-20-6-2-1-3-7-20/h1-3,6-7,9-14,18H,4-5,8,15-17,19H2
• InChIKey: WZEYFRLAIMDHHQ-UHFFFAOYSA-N
• XLogP: 6.39
• TPSA: 30.93 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.49
LogP ≤ 5	6.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxy-1-[3-[4-(trifluoromethoxy)phenoxy]propyl]-3,4-dihydro-2H-quinoline?

The IUPAC name of 6-phenylmethoxy-1-[3-[4-(trifluoromethoxy)phenoxy]propyl]-3,4-dihydro-2H-quinoline (CID 70873537) is 6-phenylmethoxy-1-[3-[4-(trifluoromethoxy)phenoxy]propyl]-3,4-dihydro-2H-quinoline.

What is the SMILES notation for 6-phenylmethoxy-1-[3-[4-(trifluoromethoxy)phenoxy]propyl]-3,4-dihydro-2H-quinoline?

The canonical SMILES for 6-phenylmethoxy-1-[3-[4-(trifluoromethoxy)phenoxy]propyl]-3,4-dihydro-2H-quinoline is FC(F)(F)Oc1ccc(OCCCN2CCCc3cc(OCc4ccccc4)ccc32)cc1.

What is the InChIKey of 6-phenylmethoxy-1-[3-[4-(trifluoromethoxy)phenoxy]propyl]-3,4-dihydro-2H-quinoline?

The InChIKey is WZEYFRLAIMDHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3NO3/c27-26(28,29)33-23-11-9-22(10-12-23)31-17-5-16-30-15-4-8-21-18-24(13-14-25(21)30)32-19-20-6-2-1-3-7-20/h1-3,6-7,9-14,18H,4-5,8,15-17,19H2.

What are the key properties of 6-phenylmethoxy-1-[3-[4-(trifluoromethoxy)phenoxy]propyl]-3,4-dihydro-2H-quinoline?

6-phenylmethoxy-1-[3-[4-(trifluoromethoxy)phenoxy]propyl]-3,4-dihydro-2H-quinoline has a molecular weight of 457.49 g/mol, XLogP of 6.39, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-phenylmethoxy-1-[3-[4-(trifluoromethoxy)phenoxy]propyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 70873537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).