1-(2-ethoxyethyl)-5-fluoro-3-(4-methoxyphenyl)-8-propoxyquinolin-4-one

C23H26FNO4 — CID 66917324

IUPAC1-(2-ethoxyethyl)-5-fluoro-3-(4-methoxyphenyl)-8-propoxyquinolin-4-one
SMILESCCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)cn(CCOCC)c12
InChIInChI=1S/C23H26FNO4/c1-4-13-29-20-11-10-19(24)21-22(20)25(12-14-28-5-2)15-18(23(21)26)16-6-8-17(27-3)9-7-16/h6-11,15H,4-5,12-14H2,1-3H3
InChIKeySOKWDBAQXJNOIW-UHFFFAOYSA-N
MW399.46 g/mol
LogP4.64
Rot. Bonds9

About 1-(2-ethoxyethyl)-5-fluoro-3-(4-methoxyphenyl)-8-propoxyquinolin-4-one

1-(2-ethoxyethyl)-5-fluoro-3-(4-methoxyphenyl)-8-propoxyquinolin-4-one (PubChem CID 66917324) has the molecular formula C23H26FNO4 and a molecular weight of 399.46 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-5-fluoro-3-(4-methoxyphenyl)-8-propoxyquinolin-4-one.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-5-fluoro-3-(4-methoxyphenyl)-8-propoxyquinolin-4-one
PubChem CID66917324
Molecular FormulaC23H26FNO4
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name1-(2-ethoxyethyl)-5-fluoro-3-(4-methoxyphenyl)-8-propoxyquinolin-4-one
SMILESCCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)cn(CCOCC)c12
InChIInChI=1S/C23H26FNO4/c1-4-13-29-20-11-10-19(24)21-22(20)25(12-14-28-5-2)15-18(23(21)26)16-6-8-17(27-3)9-7-16/h6-11,15H,4-5,12-14H2,1-3H3
InChIKeySOKWDBAQXJNOIW-UHFFFAOYSA-N
XLogP4.64
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-5-fluoro-3-(4-methoxyphenyl)-8-propoxyquinolin-4-one?
The IUPAC name of 1-(2-ethoxyethyl)-5-fluoro-3-(4-methoxyphenyl)-8-propoxyquinolin-4-one (CID 66917324) is 1-(2-ethoxyethyl)-5-fluoro-3-(4-methoxyphenyl)-8-propoxyquinolin-4-one.
What is the SMILES notation for 1-(2-ethoxyethyl)-5-fluoro-3-(4-methoxyphenyl)-8-propoxyquinolin-4-one?
The canonical SMILES for 1-(2-ethoxyethyl)-5-fluoro-3-(4-methoxyphenyl)-8-propoxyquinolin-4-one is CCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)cn(CCOCC)c12.
What is the InChIKey of 1-(2-ethoxyethyl)-5-fluoro-3-(4-methoxyphenyl)-8-propoxyquinolin-4-one?
The InChIKey is SOKWDBAQXJNOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO4/c1-4-13-29-20-11-10-19(24)21-22(20)25(12-14-28-5-2)15-18(23(21)26)16-6-8-17(27-3)9-7-16/h6-11,15H,4-5,12-14H2,1-3H3.
What are the key properties of 1-(2-ethoxyethyl)-5-fluoro-3-(4-methoxyphenyl)-8-propoxyquinolin-4-one?
1-(2-ethoxyethyl)-5-fluoro-3-(4-methoxyphenyl)-8-propoxyquinolin-4-one has a molecular weight of 399.46 g/mol, XLogP of 4.64, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-5-fluoro-3-(4-methoxyphenyl)-8-propoxyquinolin-4-one is sourced from PubChem (CID 66917324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).