5-fluoro-2-(hydroxymethyl)-3-(4-methoxyphenyl)-8-propoxy-1H-quinolin-4-one

C20H20FNO4 — CID 58492441

IUPAC5-fluoro-2-(hydroxymethyl)-3-(4-methoxyphenyl)-8-propoxy-1H-quinolin-4-one
SMILESCCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)c(CO)[nH]c12
InChIInChI=1S/C20H20FNO4/c1-3-10-26-16-9-8-14(21)18-19(16)22-15(11-23)17(20(18)24)12-4-6-13(25-2)7-5-12/h4-9,23H,3,10-11H2,1-2H3,(H,22,24)
InChIKeyYGTAVDJSVARPMP-UHFFFAOYSA-N
MW357.38 g/mol
LogP3.62
Rot. Bonds6

About 5-fluoro-2-(hydroxymethyl)-3-(4-methoxyphenyl)-8-propoxy-1H-quinolin-4-one

5-fluoro-2-(hydroxymethyl)-3-(4-methoxyphenyl)-8-propoxy-1H-quinolin-4-one (PubChem CID 58492441) has the molecular formula C20H20FNO4 and a molecular weight of 357.38 g/mol. Its IUPAC name is 5-fluoro-2-(hydroxymethyl)-3-(4-methoxyphenyl)-8-propoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name5-fluoro-2-(hydroxymethyl)-3-(4-methoxyphenyl)-8-propoxy-1H-quinolin-4-one
PubChem CID58492441
Molecular FormulaC20H20FNO4
Molecular Weight357.38 g/mol
Exact Mass357.14
IUPAC Name5-fluoro-2-(hydroxymethyl)-3-(4-methoxyphenyl)-8-propoxy-1H-quinolin-4-one
SMILESCCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)c(CO)[nH]c12
InChIInChI=1S/C20H20FNO4/c1-3-10-26-16-9-8-14(21)18-19(16)22-15(11-23)17(20(18)24)12-4-6-13(25-2)7-5-12/h4-9,23H,3,10-11H2,1-2H3,(H,22,24)
InChIKeyYGTAVDJSVARPMP-UHFFFAOYSA-N
XLogP3.62
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(hydroxymethyl)-3-(4-methoxyphenyl)-8-propoxy-1H-quinolin-4-one?
The IUPAC name of 5-fluoro-2-(hydroxymethyl)-3-(4-methoxyphenyl)-8-propoxy-1H-quinolin-4-one (CID 58492441) is 5-fluoro-2-(hydroxymethyl)-3-(4-methoxyphenyl)-8-propoxy-1H-quinolin-4-one.
What is the SMILES notation for 5-fluoro-2-(hydroxymethyl)-3-(4-methoxyphenyl)-8-propoxy-1H-quinolin-4-one?
The canonical SMILES for 5-fluoro-2-(hydroxymethyl)-3-(4-methoxyphenyl)-8-propoxy-1H-quinolin-4-one is CCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)c(CO)[nH]c12.
What is the InChIKey of 5-fluoro-2-(hydroxymethyl)-3-(4-methoxyphenyl)-8-propoxy-1H-quinolin-4-one?
The InChIKey is YGTAVDJSVARPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO4/c1-3-10-26-16-9-8-14(21)18-19(16)22-15(11-23)17(20(18)24)12-4-6-13(25-2)7-5-12/h4-9,23H,3,10-11H2,1-2H3,(H,22,24).
What are the key properties of 5-fluoro-2-(hydroxymethyl)-3-(4-methoxyphenyl)-8-propoxy-1H-quinolin-4-one?
5-fluoro-2-(hydroxymethyl)-3-(4-methoxyphenyl)-8-propoxy-1H-quinolin-4-one has a molecular weight of 357.38 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(hydroxymethyl)-3-(4-methoxyphenyl)-8-propoxy-1H-quinolin-4-one is sourced from PubChem (CID 58492441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).