4-[(4-fluorophenyl)methoxy]-1-[2-(hydroxymethyl)quinolin-6-yl]pyridin-2-one

C22H17FN2O3 — CID 69082097

IUPAC4-[(4-fluorophenyl)methoxy]-1-[2-(hydroxymethyl)quinolin-6-yl]pyridin-2-one
SMILESO=c1cc(OCc2ccc(F)cc2)ccn1-c1ccc2nc(CO)ccc2c1
InChIInChI=1S/C22H17FN2O3/c23-17-4-1-15(2-5-17)14-28-20-9-10-25(22(27)12-20)19-7-8-21-16(11-19)3-6-18(13-26)24-21/h1-12,26H,13-14H2
InChIKeyPNSSFXAQUSQHJH-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.60
Rot. Bonds5

About 4-[(4-fluorophenyl)methoxy]-1-[2-(hydroxymethyl)quinolin-6-yl]pyridin-2-one

4-[(4-fluorophenyl)methoxy]-1-[2-(hydroxymethyl)quinolin-6-yl]pyridin-2-one (PubChem CID 69082097) has the molecular formula C22H17FN2O3 and a molecular weight of 376.39 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]-1-[2-(hydroxymethyl)quinolin-6-yl]pyridin-2-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]-1-[2-(hydroxymethyl)quinolin-6-yl]pyridin-2-one
PubChem CID69082097
Molecular FormulaC22H17FN2O3
Molecular Weight376.39 g/mol
Exact Mass376.12
IUPAC Name4-[(4-fluorophenyl)methoxy]-1-[2-(hydroxymethyl)quinolin-6-yl]pyridin-2-one
SMILESO=c1cc(OCc2ccc(F)cc2)ccn1-c1ccc2nc(CO)ccc2c1
InChIInChI=1S/C22H17FN2O3/c23-17-4-1-15(2-5-17)14-28-20-9-10-25(22(27)12-20)19-7-8-21-16(11-19)3-6-18(13-26)24-21/h1-12,26H,13-14H2
InChIKeyPNSSFXAQUSQHJH-UHFFFAOYSA-N
XLogP3.60
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-[2-(hydroxymethyl)quinolin-6-yl]pyridin-2-one?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-[2-(hydroxymethyl)quinolin-6-yl]pyridin-2-one (CID 69082097) is 4-[(4-fluorophenyl)methoxy]-1-[2-(hydroxymethyl)quinolin-6-yl]pyridin-2-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]-1-[2-(hydroxymethyl)quinolin-6-yl]pyridin-2-one?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]-1-[2-(hydroxymethyl)quinolin-6-yl]pyridin-2-one is O=c1cc(OCc2ccc(F)cc2)ccn1-c1ccc2nc(CO)ccc2c1.
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]-1-[2-(hydroxymethyl)quinolin-6-yl]pyridin-2-one?
The InChIKey is PNSSFXAQUSQHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O3/c23-17-4-1-15(2-5-17)14-28-20-9-10-25(22(27)12-20)19-7-8-21-16(11-19)3-6-18(13-26)24-21/h1-12,26H,13-14H2.
What are the key properties of 4-[(4-fluorophenyl)methoxy]-1-[2-(hydroxymethyl)quinolin-6-yl]pyridin-2-one?
4-[(4-fluorophenyl)methoxy]-1-[2-(hydroxymethyl)quinolin-6-yl]pyridin-2-one has a molecular weight of 376.39 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxy]-1-[2-(hydroxymethyl)quinolin-6-yl]pyridin-2-one is sourced from PubChem (CID 69082097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).