(2E,4Z)-5-(6-ethoxy-3-pyridinyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide

C28H24F3N3O4 — CID 57385290

About (2E,4Z)-5-(6-ethoxy-3-pyridinyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide

(2E,4Z)-5-(6-ethoxy-3-pyridinyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide (PubChem CID 57385290) has the molecular formula C28H24F3N3O4 and a molecular weight of 523.51 g/mol. Its IUPAC name is (2E,4Z)-5-(6-ethoxy-3-pyridinyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide.

Molecular Properties

• Compound Name: (2E,4Z)-5-(6-ethoxy-3-pyridinyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
• PubChem CID: 57385290
• Molecular Formula: C28H24F3N3O4
• Molecular Weight: 523.51 g/mol
• Exact Mass: 523.17
• IUPAC Name: (2E,4Z)-5-(6-ethoxy-3-pyridinyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
• SMILES: CCOc1ccc(/C(=C\C=C\C(=O)Nc2cccc3c2CC(O)C(=O)N3)c2ccc(C(F)(F)F)cc2)cn1
• InChI: InChI=1S/C28H24F3N3O4/c1-2-38-26-14-11-18(16-32-26)20(17-9-12-19(13-10-17)28(29,30)31)5-3-8-25(36)33-22-6-4-7-23-21(22)15-24(35)27(37)34-23/h3-14,16,24,35H,2,15H2,1H3,(H,33,36)(H,34,37)/b8-3+,20-5-
• InChIKey: GZEPVPNNBFPUAZ-NBWKKXHRSA-N
• XLogP: 4.98
• TPSA: 100.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.51
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-5-(6-ethoxy-3-pyridinyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide?

The IUPAC name of (2E,4Z)-5-(6-ethoxy-3-pyridinyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide (CID 57385290) is (2E,4Z)-5-(6-ethoxy-3-pyridinyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide.

What is the SMILES notation for (2E,4Z)-5-(6-ethoxy-3-pyridinyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide?

The canonical SMILES for (2E,4Z)-5-(6-ethoxy-3-pyridinyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide is CCOc1ccc(/C(=C\C=C\C(=O)Nc2cccc3c2CC(O)C(=O)N3)c2ccc(C(F)(F)F)cc2)cn1.

What is the InChIKey of (2E,4Z)-5-(6-ethoxy-3-pyridinyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide?

The InChIKey is GZEPVPNNBFPUAZ-NBWKKXHRSA-N. The full InChI is InChI=1S/C28H24F3N3O4/c1-2-38-26-14-11-18(16-32-26)20(17-9-12-19(13-10-17)28(29,30)31)5-3-8-25(36)33-22-6-4-7-23-21(22)15-24(35)27(37)34-23/h3-14,16,24,35H,2,15H2,1H3,(H,33,36)(H,34,37)/b8-3+,20-5-.

What are the key properties of (2E,4Z)-5-(6-ethoxy-3-pyridinyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide?

(2E,4Z)-5-(6-ethoxy-3-pyridinyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide has a molecular weight of 523.51 g/mol, XLogP of 4.98, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,4Z)-5-(6-ethoxy-3-pyridinyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide is sourced from PubChem (CID 57385290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).