3-[(4-chlorophenyl)methyl]-1-(3,3-diethoxypropyl)-4-hydroxypyridin-2-one

C19H24ClNO4 — CID 54678152

IUPAC3-[(4-chlorophenyl)methyl]-1-(3,3-diethoxypropyl)-4-hydroxypyridin-2-one
SMILESCCOC(CCn1ccc(O)c(Cc2ccc(Cl)cc2)c1=O)OCC
InChIInChI=1S/C19H24ClNO4/c1-3-24-18(25-4-2)10-12-21-11-9-17(22)16(19(21)23)13-14-5-7-15(20)8-6-14/h5-9,11,18,22H,3-4,10,12-13H2,1-2H3
InChIKeyBQOATTMHUJNJDT-UHFFFAOYSA-N
MW365.86 g/mol
LogP3.59
Rot. Bonds9

About 3-[(4-chlorophenyl)methyl]-1-(3,3-diethoxypropyl)-4-hydroxypyridin-2-one

3-[(4-chlorophenyl)methyl]-1-(3,3-diethoxypropyl)-4-hydroxypyridin-2-one (PubChem CID 54678152) has the molecular formula C19H24ClNO4 and a molecular weight of 365.86 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-1-(3,3-diethoxypropyl)-4-hydroxypyridin-2-one.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-1-(3,3-diethoxypropyl)-4-hydroxypyridin-2-one
PubChem CID54678152
Molecular FormulaC19H24ClNO4
Molecular Weight365.86 g/mol
Exact Mass365.14
IUPAC Name3-[(4-chlorophenyl)methyl]-1-(3,3-diethoxypropyl)-4-hydroxypyridin-2-one
SMILESCCOC(CCn1ccc(O)c(Cc2ccc(Cl)cc2)c1=O)OCC
InChIInChI=1S/C19H24ClNO4/c1-3-24-18(25-4-2)10-12-21-11-9-17(22)16(19(21)23)13-14-5-7-15(20)8-6-14/h5-9,11,18,22H,3-4,10,12-13H2,1-2H3
InChIKeyBQOATTMHUJNJDT-UHFFFAOYSA-N
XLogP3.59
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-allyl-3-(4-chlorobenzyl)-4-hydroxy-2(1H)-pyridinone
CID 54686742
3-(4-chlorobenzyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-2(1H)-pyridinone
CID 54695990
ethyl 2-[3-(2,4-dichlorobenzyl)-4-hydroxy-2-oxo-1(2H)-pyridinyl]acetate
CID 54707938
3-(4-chlorobenzyl)-4-hydroxy-1-propyl-2(1H)-pyridinone
CID 54710104
3-(4-chlorobenzyl)-4-hydroxy-1-(2-methoxyethyl)-2(1H)-pyridinone
CID 54680136
4-Butoxy-3-[(4-chlorophenyl)methyl]-1-propan-2-ylpyridin-2-one
CID 89745340
3-[(4-Chlorophenyl)methyl]-4-hydroxy-1-propan-2-ylpyridin-2-one
CID 89745344
3-[2-(4-Chlorophenyl)ethyl]-1-[2-(oxan-2-yloxy)ethyl]pyridin-2-one
CID 118945280
3-[(4-Chlorophenyl)methyl]-4-methoxy-1-propan-2-ylpyridin-2-one
CID 145621809
3-[(4-Chlorophenyl)methyl]-4-hydroxy-1-propan-2-ylpyridin-2-one;ethane
CID 145621831
3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-ethylpropanamide
CID 173163673
3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-methylpropanamide
CID 173163704

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-1-(3,3-diethoxypropyl)-4-hydroxypyridin-2-one?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-1-(3,3-diethoxypropyl)-4-hydroxypyridin-2-one (CID 54678152) is 3-[(4-chlorophenyl)methyl]-1-(3,3-diethoxypropyl)-4-hydroxypyridin-2-one.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-1-(3,3-diethoxypropyl)-4-hydroxypyridin-2-one?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-1-(3,3-diethoxypropyl)-4-hydroxypyridin-2-one is CCOC(CCn1ccc(O)c(Cc2ccc(Cl)cc2)c1=O)OCC.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-1-(3,3-diethoxypropyl)-4-hydroxypyridin-2-one?
The InChIKey is BQOATTMHUJNJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO4/c1-3-24-18(25-4-2)10-12-21-11-9-17(22)16(19(21)23)13-14-5-7-15(20)8-6-14/h5-9,11,18,22H,3-4,10,12-13H2,1-2H3.
What are the key properties of 3-[(4-chlorophenyl)methyl]-1-(3,3-diethoxypropyl)-4-hydroxypyridin-2-one?
3-[(4-chlorophenyl)methyl]-1-(3,3-diethoxypropyl)-4-hydroxypyridin-2-one has a molecular weight of 365.86 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-1-(3,3-diethoxypropyl)-4-hydroxypyridin-2-one is sourced from PubChem (CID 54678152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).