3-[4-(6-methoxyquinolin-4-yl)oxy-3-propan-2-ylphenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione

C28H23F3N4O4 — CID 166060355

About 3-[4-(6-methoxyquinolin-4-yl)oxy-3-propan-2-ylphenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione

3-[4-(6-methoxyquinolin-4-yl)oxy-3-propan-2-ylphenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione (PubChem CID 166060355) has the molecular formula C28H23F3N4O4 and a molecular weight of 536.51 g/mol. Its IUPAC name is 3-[4-(6-methoxyquinolin-4-yl)oxy-3-propan-2-ylphenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[4-(6-methoxyquinolin-4-yl)oxy-3-propan-2-ylphenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione
• PubChem CID: 166060355
• Molecular Formula: C28H23F3N4O4
• Molecular Weight: 536.51 g/mol
• Exact Mass: 536.17
• IUPAC Name: 3-[4-(6-methoxyquinolin-4-yl)oxy-3-propan-2-ylphenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2nccc(Oc3ccc(N4C(=O)CN(c5cncc(C(F)(F)F)c5)C4=O)cc3C(C)C)c2c1
• InChI: InChI=1S/C28H23F3N4O4/c1-16(2)21-11-18(4-7-24(21)39-25-8-9-33-23-6-5-20(38-3)12-22(23)25)35-26(36)15-34(27(35)37)19-10-17(13-32-14-19)28(29,30)31/h4-14,16H,15H2,1-3H3
• InChIKey: FZUPVXGNBFYQFA-UHFFFAOYSA-N
• XLogP: 6.55
• TPSA: 84.86 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.51
LogP ≤ 5	6.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-methoxyquinolin-4-yl)oxy-3-propan-2-ylphenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione?

The IUPAC name of 3-[4-(6-methoxyquinolin-4-yl)oxy-3-propan-2-ylphenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione (CID 166060355) is 3-[4-(6-methoxyquinolin-4-yl)oxy-3-propan-2-ylphenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione.

What is the SMILES notation for 3-[4-(6-methoxyquinolin-4-yl)oxy-3-propan-2-ylphenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione?

The canonical SMILES for 3-[4-(6-methoxyquinolin-4-yl)oxy-3-propan-2-ylphenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione is COc1ccc2nccc(Oc3ccc(N4C(=O)CN(c5cncc(C(F)(F)F)c5)C4=O)cc3C(C)C)c2c1.

What is the InChIKey of 3-[4-(6-methoxyquinolin-4-yl)oxy-3-propan-2-ylphenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione?

The InChIKey is FZUPVXGNBFYQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F3N4O4/c1-16(2)21-11-18(4-7-24(21)39-25-8-9-33-23-6-5-20(38-3)12-22(23)25)35-26(36)15-34(27(35)37)19-10-17(13-32-14-19)28(29,30)31/h4-14,16H,15H2,1-3H3.

What are the key properties of 3-[4-(6-methoxyquinolin-4-yl)oxy-3-propan-2-ylphenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione?

3-[4-(6-methoxyquinolin-4-yl)oxy-3-propan-2-ylphenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione has a molecular weight of 536.51 g/mol, XLogP of 6.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(6-methoxyquinolin-4-yl)oxy-3-propan-2-ylphenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione is sourced from PubChem (CID 166060355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).