[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl] 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate

C23H25ClFNO4 — CID 145007547

About [(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl] 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate

[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl] 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate (PubChem CID 145007547) has the molecular formula C23H25ClFNO4 and a molecular weight of 433.91 g/mol. Its IUPAC name is [(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl] 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate.

Molecular Properties

• Compound Name: [(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl] 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
• PubChem CID: 145007547
• Molecular Formula: C23H25ClFNO4
• Molecular Weight: 433.91 g/mol
• Exact Mass: 433.15
• IUPAC Name: [(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl] 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
• SMILES: C=C/C(F)=C(\C=C)COC(=O)C1=C(C)N(CCOC)C(=O)CC1c1ccc(Cl)cc1
• InChI: InChI=1S/C23H25ClFNO4/c1-5-16(20(25)6-2)14-30-23(28)22-15(3)26(11-12-29-4)21(27)13-19(22)17-7-9-18(24)10-8-17/h5-10,19H,1-2,11-14H2,3-4H3/b20-16-
• InChIKey: XUZXRXVFQYWGDJ-SILNSSARSA-N
• XLogP: 4.72
• TPSA: 55.84 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.91
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl] 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?

The IUPAC name of [(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl] 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate (CID 145007547) is [(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl] 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate.

What is the SMILES notation for [(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl] 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?

The canonical SMILES for [(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl] 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate is C=C/C(F)=C(\C=C)COC(=O)C1=C(C)N(CCOC)C(=O)CC1c1ccc(Cl)cc1.

What is the InChIKey of [(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl] 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?

The InChIKey is XUZXRXVFQYWGDJ-SILNSSARSA-N. The full InChI is InChI=1S/C23H25ClFNO4/c1-5-16(20(25)6-2)14-30-23(28)22-15(3)26(11-12-29-4)21(27)13-19(22)17-7-9-18(24)10-8-17/h5-10,19H,1-2,11-14H2,3-4H3/b20-16-.

What are the key properties of [(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl] 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?

[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl] 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate has a molecular weight of 433.91 g/mol, XLogP of 4.72, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl] 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 145007547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).