3-(4-ethylphenyl)-5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one

C₂₁H₂₂FNO₂ — CID 66917329

About 3-(4-ethylphenyl)-5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one

3-(4-ethylphenyl)-5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one (PubChem CID 66917329) has the molecular formula C₂₁H₂₂FNO₂ and a molecular weight of 339.41 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one.

Molecular Properties

• Compound Name: 3-(4-ethylphenyl)-5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one
• PubChem CID: 66917329
• Molecular Formula: C₂₁H₂₂FNO₂
• Molecular Weight: 339.41 g/mol
• Exact Mass: 339.16
• IUPAC Name: 3-(4-ethylphenyl)-5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one
• SMILES: CCCOc1ccc(F)c2c(=O)c(-c3ccc(CC)cc3)c(C)[nH]c12
• InChI: InChI=1S/C21H22FNO2/c1-4-12-25-17-11-10-16(22)19-20(17)23-13(3)18(21(19)24)15-8-6-14(5-2)7-9-15/h6-11H,4-5,12H2,1-3H3,(H,23,24)
• InChIKey: QWVPFCFTPBDREA-UHFFFAOYSA-N
• XLogP: 4.99
• TPSA: 42.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.41
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one?

The IUPAC name of 3-(4-ethylphenyl)-5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one (CID 66917329) is 3-(4-ethylphenyl)-5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one.

What is the SMILES notation for 3-(4-ethylphenyl)-5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one?

The canonical SMILES for 3-(4-ethylphenyl)-5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one is CCCOc1ccc(F)c2c(=O)c(-c3ccc(CC)cc3)c(C)[nH]c12.

What is the InChIKey of 3-(4-ethylphenyl)-5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one?

The InChIKey is QWVPFCFTPBDREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO2/c1-4-12-25-17-11-10-16(22)19-20(17)23-13(3)18(21(19)24)15-8-6-14(5-2)7-9-15/h6-11H,4-5,12H2,1-3H3,(H,23,24).

What are the key properties of 3-(4-ethylphenyl)-5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one?

3-(4-ethylphenyl)-5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one has a molecular weight of 339.41 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-ethylphenyl)-5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one is sourced from PubChem (CID 66917329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 66917329 — identifiers, structure, computed properties (public domain)

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