7-fluoro-3-[(4-hydroxypiperidin-1-yl)methyl]-1-(2-phenoxyethyl)quinolin-2-one

C23H25FN2O3 — CID 42330354

IUPAC7-fluoro-3-[(4-hydroxypiperidin-1-yl)methyl]-1-(2-phenoxyethyl)quinolin-2-one
SMILESO=c1c(CN2CCC(O)CC2)cc2ccc(F)cc2n1CCOc1ccccc1
InChIInChI=1S/C23H25FN2O3/c24-19-7-6-17-14-18(16-25-10-8-20(27)9-11-25)23(28)26(22(17)15-19)12-13-29-21-4-2-1-3-5-21/h1-7,14-15,20,27H,8-13,16H2
InChIKeyJPSXLCRWEBAAQJ-UHFFFAOYSA-N
MW396.46 g/mol
LogP3.18
Rot. Bonds6

About 7-fluoro-3-[(4-hydroxypiperidin-1-yl)methyl]-1-(2-phenoxyethyl)quinolin-2-one

7-fluoro-3-[(4-hydroxypiperidin-1-yl)methyl]-1-(2-phenoxyethyl)quinolin-2-one (PubChem CID 42330354) has the molecular formula C23H25FN2O3 and a molecular weight of 396.46 g/mol. Its IUPAC name is 7-fluoro-3-[(4-hydroxypiperidin-1-yl)methyl]-1-(2-phenoxyethyl)quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-3-[(4-hydroxypiperidin-1-yl)methyl]-1-(2-phenoxyethyl)quinolin-2-one
PubChem CID42330354
Molecular FormulaC23H25FN2O3
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC Name7-fluoro-3-[(4-hydroxypiperidin-1-yl)methyl]-1-(2-phenoxyethyl)quinolin-2-one
SMILESO=c1c(CN2CCC(O)CC2)cc2ccc(F)cc2n1CCOc1ccccc1
InChIInChI=1S/C23H25FN2O3/c24-19-7-6-17-14-18(16-25-10-8-20(27)9-11-25)23(28)26(22(17)15-19)12-13-29-21-4-2-1-3-5-21/h1-7,14-15,20,27H,8-13,16H2
InChIKeyJPSXLCRWEBAAQJ-UHFFFAOYSA-N
XLogP3.18
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[(4-hydroxypiperidin-1-yl)methyl]-1-(2-phenoxyethyl)quinolin-2-one?
The IUPAC name of 7-fluoro-3-[(4-hydroxypiperidin-1-yl)methyl]-1-(2-phenoxyethyl)quinolin-2-one (CID 42330354) is 7-fluoro-3-[(4-hydroxypiperidin-1-yl)methyl]-1-(2-phenoxyethyl)quinolin-2-one.
What is the SMILES notation for 7-fluoro-3-[(4-hydroxypiperidin-1-yl)methyl]-1-(2-phenoxyethyl)quinolin-2-one?
The canonical SMILES for 7-fluoro-3-[(4-hydroxypiperidin-1-yl)methyl]-1-(2-phenoxyethyl)quinolin-2-one is O=c1c(CN2CCC(O)CC2)cc2ccc(F)cc2n1CCOc1ccccc1.
What is the InChIKey of 7-fluoro-3-[(4-hydroxypiperidin-1-yl)methyl]-1-(2-phenoxyethyl)quinolin-2-one?
The InChIKey is JPSXLCRWEBAAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3/c24-19-7-6-17-14-18(16-25-10-8-20(27)9-11-25)23(28)26(22(17)15-19)12-13-29-21-4-2-1-3-5-21/h1-7,14-15,20,27H,8-13,16H2.
What are the key properties of 7-fluoro-3-[(4-hydroxypiperidin-1-yl)methyl]-1-(2-phenoxyethyl)quinolin-2-one?
7-fluoro-3-[(4-hydroxypiperidin-1-yl)methyl]-1-(2-phenoxyethyl)quinolin-2-one has a molecular weight of 396.46 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[(4-hydroxypiperidin-1-yl)methyl]-1-(2-phenoxyethyl)quinolin-2-one is sourced from PubChem (CID 42330354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).