8-ethoxy-5-fluoro-3-(4-methoxyphenyl)-1H-quinolin-4-one

C18H16FNO3 — CID 25165676

IUPAC8-ethoxy-5-fluoro-3-(4-methoxyphenyl)-1H-quinolin-4-one
SMILESCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)c[nH]c12
InChIInChI=1S/C18H16FNO3/c1-3-23-15-9-8-14(19)16-17(15)20-10-13(18(16)21)11-4-6-12(22-2)7-5-11/h4-10H,3H2,1-2H3,(H,20,21)
InChIKeyHVYKNXXJNCPTKI-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.74
Rot. Bonds4

About 8-ethoxy-5-fluoro-3-(4-methoxyphenyl)-1H-quinolin-4-one

8-ethoxy-5-fluoro-3-(4-methoxyphenyl)-1H-quinolin-4-one (PubChem CID 25165676) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is 8-ethoxy-5-fluoro-3-(4-methoxyphenyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name8-ethoxy-5-fluoro-3-(4-methoxyphenyl)-1H-quinolin-4-one
PubChem CID25165676
Molecular FormulaC18H16FNO3
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC Name8-ethoxy-5-fluoro-3-(4-methoxyphenyl)-1H-quinolin-4-one
SMILESCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)c[nH]c12
InChIInChI=1S/C18H16FNO3/c1-3-23-15-9-8-14(19)16-17(15)20-10-13(18(16)21)11-4-6-12(22-2)7-5-11/h4-10H,3H2,1-2H3,(H,20,21)
InChIKeyHVYKNXXJNCPTKI-UHFFFAOYSA-N
XLogP3.74
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-5-fluoro-3-(4-methoxyphenyl)-1H-quinolin-4-one?
The IUPAC name of 8-ethoxy-5-fluoro-3-(4-methoxyphenyl)-1H-quinolin-4-one (CID 25165676) is 8-ethoxy-5-fluoro-3-(4-methoxyphenyl)-1H-quinolin-4-one.
What is the SMILES notation for 8-ethoxy-5-fluoro-3-(4-methoxyphenyl)-1H-quinolin-4-one?
The canonical SMILES for 8-ethoxy-5-fluoro-3-(4-methoxyphenyl)-1H-quinolin-4-one is CCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)c[nH]c12.
What is the InChIKey of 8-ethoxy-5-fluoro-3-(4-methoxyphenyl)-1H-quinolin-4-one?
The InChIKey is HVYKNXXJNCPTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3/c1-3-23-15-9-8-14(19)16-17(15)20-10-13(18(16)21)11-4-6-12(22-2)7-5-11/h4-10H,3H2,1-2H3,(H,20,21).
What are the key properties of 8-ethoxy-5-fluoro-3-(4-methoxyphenyl)-1H-quinolin-4-one?
8-ethoxy-5-fluoro-3-(4-methoxyphenyl)-1H-quinolin-4-one has a molecular weight of 313.33 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-5-fluoro-3-(4-methoxyphenyl)-1H-quinolin-4-one is sourced from PubChem (CID 25165676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).