3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)pyridin-2-one

C19H22ClFN2O3 — CID 54682628

IUPAC3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)pyridin-2-one
SMILESO=c1c(Cc2c(F)cccc2Cl)c(O)ccn1CCCN1CCOCC1
InChIInChI=1S/C19H22ClFN2O3/c20-16-3-1-4-17(21)14(16)13-15-18(24)5-8-23(19(15)25)7-2-6-22-9-11-26-12-10-22/h1,3-5,8,24H,2,6-7,9-13H2
InChIKeyNEHOGKXGYWUECI-UHFFFAOYSA-N
MW380.85 g/mol
LogP2.66
Rot. Bonds6

About 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)pyridin-2-one

3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)pyridin-2-one (PubChem CID 54682628) has the molecular formula C19H22ClFN2O3 and a molecular weight of 380.85 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)pyridin-2-one.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)pyridin-2-one
PubChem CID54682628
Molecular FormulaC19H22ClFN2O3
Molecular Weight380.85 g/mol
Exact Mass380.13
IUPAC Name3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)pyridin-2-one
SMILESO=c1c(Cc2c(F)cccc2Cl)c(O)ccn1CCCN1CCOCC1
InChIInChI=1S/C19H22ClFN2O3/c20-16-3-1-4-17(21)14(16)13-15-18(24)5-8-23(19(15)25)7-2-6-22-9-11-26-12-10-22/h1,3-5,8,24H,2,6-7,9-13H2
InChIKeyNEHOGKXGYWUECI-UHFFFAOYSA-N
XLogP2.66
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chloro-6-fluorobenzyl)-1-cycloheptyl-4-hydroxy-2(1H)-pyridinone
CID 54693099
3-(2-chloro-6-fluorobenzyl)-1-cyclopropyl-4-hydroxy-2(1H)-pyridinone
CID 54696639
3-[(2-Chlorophenyl)-piperidin-1-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 54703753
3-(2-chloro-6-fluorobenzyl)-4-hydroxy-1-(2-propynyl)-2(1H)-pyridinone
CID 54703882
3-(4-fluorobenzyl)-4-hydroxy-1-(3-morpholinopropyl)-2(1H)-pyridinone
CID 54682158
3-(2,4-dichlorobenzyl)-4-hydroxy-1-(3-morpholinopropyl)-2(1H)-pyridinone
CID 54696275
3-(2-chloro-6-fluorobenzyl)-4-hydroxy-1-(tetrahydro-2-furanylmethyl)-2(1H)-pyridinone
CID 54696638
3-[(2-Chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 54703754
3-[(4-Chlorophenyl)(piperidin-1-YL)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methyl-1,2-dihydropyridin-2-one
CID 54703757
3-(4-chlorobenzyl)-4-hydroxy-1-(2-methoxyethyl)-2(1H)-pyridinone
CID 54680136
3-(2-chloro-6-fluorobenzyl)-1-(4-fluorobenzyl)-4-hydroxy-2(1H)-pyridinone
CID 54696634
3-((2-chlorophenyl)(4-(2-hydroxyethyl)piperazin-1-yl)methyl)-1-ethyl-4-hydroxy-6-methylpyridin-2(1H)-one
CID 54692518

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)pyridin-2-one?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)pyridin-2-one (CID 54682628) is 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)pyridin-2-one.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)pyridin-2-one?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)pyridin-2-one is O=c1c(Cc2c(F)cccc2Cl)c(O)ccn1CCCN1CCOCC1.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)pyridin-2-one?
The InChIKey is NEHOGKXGYWUECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O3/c20-16-3-1-4-17(21)14(16)13-15-18(24)5-8-23(19(15)25)7-2-6-22-9-11-26-12-10-22/h1,3-5,8,24H,2,6-7,9-13H2.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)pyridin-2-one?
3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)pyridin-2-one has a molecular weight of 380.85 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)pyridin-2-one is sourced from PubChem (CID 54682628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).