1-[2-ethyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methylpentyl]quinolin-4-one

C24H28FNO3 — CID 10092222

IUPAC1-[2-ethyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methylpentyl]quinolin-4-one
SMILESCCC(O)(Cn1ccc(=O)c2ccccc21)CC(C)(C)c1cc(F)ccc1OC
InChIInChI=1S/C24H28FNO3/c1-5-24(28,15-23(2,3)19-14-17(25)10-11-22(19)29-4)16-26-13-12-21(27)18-8-6-7-9-20(18)26/h6-14,28H,5,15-16H2,1-4H3
InChIKeyKTRGMYVUTDYFMQ-UHFFFAOYSA-N
MW397.49 g/mol
LogP4.66
Rot. Bonds7

About 1-[2-ethyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methylpentyl]quinolin-4-one

1-[2-ethyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methylpentyl]quinolin-4-one (PubChem CID 10092222) has the molecular formula C24H28FNO3 and a molecular weight of 397.49 g/mol. Its IUPAC name is 1-[2-ethyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methylpentyl]quinolin-4-one.

Molecular Properties

Compound Name1-[2-ethyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methylpentyl]quinolin-4-one
PubChem CID10092222
Molecular FormulaC24H28FNO3
Molecular Weight397.49 g/mol
Exact Mass397.21
IUPAC Name1-[2-ethyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methylpentyl]quinolin-4-one
SMILESCCC(O)(Cn1ccc(=O)c2ccccc21)CC(C)(C)c1cc(F)ccc1OC
InChIInChI=1S/C24H28FNO3/c1-5-24(28,15-23(2,3)19-14-17(25)10-11-22(19)29-4)16-26-13-12-21(27)18-8-6-7-9-20(18)26/h6-14,28H,5,15-16H2,1-4H3
InChIKeyKTRGMYVUTDYFMQ-UHFFFAOYSA-N
XLogP4.66
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-ethyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methylpentyl]quinolin-4-one?
The IUPAC name of 1-[2-ethyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methylpentyl]quinolin-4-one (CID 10092222) is 1-[2-ethyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methylpentyl]quinolin-4-one.
What is the SMILES notation for 1-[2-ethyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methylpentyl]quinolin-4-one?
The canonical SMILES for 1-[2-ethyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methylpentyl]quinolin-4-one is CCC(O)(Cn1ccc(=O)c2ccccc21)CC(C)(C)c1cc(F)ccc1OC.
What is the InChIKey of 1-[2-ethyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methylpentyl]quinolin-4-one?
The InChIKey is KTRGMYVUTDYFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FNO3/c1-5-24(28,15-23(2,3)19-14-17(25)10-11-22(19)29-4)16-26-13-12-21(27)18-8-6-7-9-20(18)26/h6-14,28H,5,15-16H2,1-4H3.
What are the key properties of 1-[2-ethyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methylpentyl]quinolin-4-one?
1-[2-ethyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methylpentyl]quinolin-4-one has a molecular weight of 397.49 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methylpentyl]quinolin-4-one is sourced from PubChem (CID 10092222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).