5-fluoro-3-(4-methoxyphenyl)-1-(2-oxo-3-piperidin-4-ylpropyl)-8-propoxyquinolin-4-one

C27H31FN2O4 — CID 58492446

IUPAC5-fluoro-3-(4-methoxyphenyl)-1-(2-oxo-3-piperidin-4-ylpropyl)-8-propoxyquinolin-4-one
SMILESCCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)cn(CC(=O)CC3CCNCC3)c12
InChIInChI=1S/C27H31FN2O4/c1-3-14-34-24-9-8-23(28)25-26(24)30(16-20(31)15-18-10-12-29-13-11-18)17-22(27(25)32)19-4-6-21(33-2)7-5-19/h4-9,17-18,29H,3,10-16H2,1-2H3
InChIKeyMFXFMXDSGQBNDH-UHFFFAOYSA-N
MW466.55 g/mol
LogP4.56
Rot. Bonds9

About 5-fluoro-3-(4-methoxyphenyl)-1-(2-oxo-3-piperidin-4-ylpropyl)-8-propoxyquinolin-4-one

5-fluoro-3-(4-methoxyphenyl)-1-(2-oxo-3-piperidin-4-ylpropyl)-8-propoxyquinolin-4-one (PubChem CID 58492446) has the molecular formula C27H31FN2O4 and a molecular weight of 466.55 g/mol. Its IUPAC name is 5-fluoro-3-(4-methoxyphenyl)-1-(2-oxo-3-piperidin-4-ylpropyl)-8-propoxyquinolin-4-one.

Molecular Properties

Compound Name5-fluoro-3-(4-methoxyphenyl)-1-(2-oxo-3-piperidin-4-ylpropyl)-8-propoxyquinolin-4-one
PubChem CID58492446
Molecular FormulaC27H31FN2O4
Molecular Weight466.55 g/mol
Exact Mass466.23
IUPAC Name5-fluoro-3-(4-methoxyphenyl)-1-(2-oxo-3-piperidin-4-ylpropyl)-8-propoxyquinolin-4-one
SMILESCCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)cn(CC(=O)CC3CCNCC3)c12
InChIInChI=1S/C27H31FN2O4/c1-3-14-34-24-9-8-23(28)25-26(24)30(16-20(31)15-18-10-12-29-13-11-18)17-22(27(25)32)19-4-6-21(33-2)7-5-19/h4-9,17-18,29H,3,10-16H2,1-2H3
InChIKeyMFXFMXDSGQBNDH-UHFFFAOYSA-N
XLogP4.56
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(4-methoxyphenyl)-1-(2-oxo-3-piperidin-4-ylpropyl)-8-propoxyquinolin-4-one?
The IUPAC name of 5-fluoro-3-(4-methoxyphenyl)-1-(2-oxo-3-piperidin-4-ylpropyl)-8-propoxyquinolin-4-one (CID 58492446) is 5-fluoro-3-(4-methoxyphenyl)-1-(2-oxo-3-piperidin-4-ylpropyl)-8-propoxyquinolin-4-one.
What is the SMILES notation for 5-fluoro-3-(4-methoxyphenyl)-1-(2-oxo-3-piperidin-4-ylpropyl)-8-propoxyquinolin-4-one?
The canonical SMILES for 5-fluoro-3-(4-methoxyphenyl)-1-(2-oxo-3-piperidin-4-ylpropyl)-8-propoxyquinolin-4-one is CCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)cn(CC(=O)CC3CCNCC3)c12.
What is the InChIKey of 5-fluoro-3-(4-methoxyphenyl)-1-(2-oxo-3-piperidin-4-ylpropyl)-8-propoxyquinolin-4-one?
The InChIKey is MFXFMXDSGQBNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN2O4/c1-3-14-34-24-9-8-23(28)25-26(24)30(16-20(31)15-18-10-12-29-13-11-18)17-22(27(25)32)19-4-6-21(33-2)7-5-19/h4-9,17-18,29H,3,10-16H2,1-2H3.
What are the key properties of 5-fluoro-3-(4-methoxyphenyl)-1-(2-oxo-3-piperidin-4-ylpropyl)-8-propoxyquinolin-4-one?
5-fluoro-3-(4-methoxyphenyl)-1-(2-oxo-3-piperidin-4-ylpropyl)-8-propoxyquinolin-4-one has a molecular weight of 466.55 g/mol, XLogP of 4.56, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(4-methoxyphenyl)-1-(2-oxo-3-piperidin-4-ylpropyl)-8-propoxyquinolin-4-one is sourced from PubChem (CID 58492446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).