3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)pyridin-2-one

C19H22Cl2N2O3 — CID 54696275

IUPAC3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)pyridin-2-one
SMILESO=c1c(Cc2ccc(Cl)cc2Cl)c(O)ccn1CCCN1CCOCC1
InChIInChI=1S/C19H22Cl2N2O3/c20-15-3-2-14(17(21)13-15)12-16-18(24)4-7-23(19(16)25)6-1-5-22-8-10-26-11-9-22/h2-4,7,13,24H,1,5-6,8-12H2
InChIKeyATNJFVDMOXMPJG-UHFFFAOYSA-N
MW397.30 g/mol
LogP3.17
Rot. Bonds6

About 3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)pyridin-2-one

3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)pyridin-2-one (PubChem CID 54696275) has the molecular formula C19H22Cl2N2O3 and a molecular weight of 397.30 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)pyridin-2-one.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)pyridin-2-one
PubChem CID54696275
Molecular FormulaC19H22Cl2N2O3
Molecular Weight397.30 g/mol
Exact Mass396.10
IUPAC Name3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)pyridin-2-one
SMILESO=c1c(Cc2ccc(Cl)cc2Cl)c(O)ccn1CCCN1CCOCC1
InChIInChI=1S/C19H22Cl2N2O3/c20-15-3-2-14(17(21)13-15)12-16-18(24)4-7-23(19(16)25)6-1-5-22-8-10-26-11-9-22/h2-4,7,13,24H,1,5-6,8-12H2
InChIKeyATNJFVDMOXMPJG-UHFFFAOYSA-N
XLogP3.17
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chloro-6-fluorobenzyl)-4-hydroxy-1-(3-morpholinopropyl)-2(1H)-pyridinone
CID 54682628
1-(4-chlorobenzyl)-3-(2,4-dichlorobenzyl)-4-hydroxy-2(1H)-pyridinone
CID 54686149
3-(2,4-dichlorobenzyl)-4-hydroxy-1-(2,2,2-trifluoroethyl)-2(1H)-pyridinone
CID 54695991
3-[(2-Chlorophenyl)-piperidin-1-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 54703753
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-Chlorophenyl)(4-ethylpiperazin-1-YL)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methyl-1,2-dihydropyridin-2-one
CID 54703758
ethyl 2-[3-(2,4-dichlorobenzyl)-4-hydroxy-2-oxo-1(2H)-pyridinyl]acetate
CID 54707938
Morpholine, 4-(2-(2,4-dichlorophenyl)-1-oxo-2-propenyl)-
CID 3007422
3-(4-chlorobenzyl)-4-hydroxy-1-(2-methoxyethyl)-2(1H)-pyridinone
CID 54680136
1-(cyclopropylmethyl)-3-(2,4-dichlorobenzyl)-4-hydroxy-2(1H)-pyridinone
CID 54680155
3-[(2-Chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)pyridin-2-one
CID 54688753

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)pyridin-2-one?
The IUPAC name of 3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)pyridin-2-one (CID 54696275) is 3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)pyridin-2-one.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)pyridin-2-one?
The canonical SMILES for 3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)pyridin-2-one is O=c1c(Cc2ccc(Cl)cc2Cl)c(O)ccn1CCCN1CCOCC1.
What is the InChIKey of 3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)pyridin-2-one?
The InChIKey is ATNJFVDMOXMPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O3/c20-15-3-2-14(17(21)13-15)12-16-18(24)4-7-23(19(16)25)6-1-5-22-8-10-26-11-9-22/h2-4,7,13,24H,1,5-6,8-12H2.
What are the key properties of 3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)pyridin-2-one?
3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)pyridin-2-one has a molecular weight of 397.30 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)pyridin-2-one is sourced from PubChem (CID 54696275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).