3-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one

C22H30N2O6 — CID 54729241

IUPAC3-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
SMILESCOCCn1c(C)cc(O)c(C(c2ccc(OC)c(OC)c2)N2CCOCC2)c1=O
InChIInChI=1S/C22H30N2O6/c1-15-13-17(25)20(22(26)24(15)9-10-27-2)21(23-7-11-30-12-8-23)16-5-6-18(28-3)19(14-16)29-4/h5-6,13-14,21,25H,7-12H2,1-4H3
InChIKeyBMJFJAFYZHHOHS-UHFFFAOYSA-N
MW418.49 g/mol
LogP1.95
Rot. Bonds8

About 3-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one

3-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one (PubChem CID 54729241) has the molecular formula C22H30N2O6 and a molecular weight of 418.49 g/mol. Its IUPAC name is 3-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
PubChem CID54729241
Molecular FormulaC22H30N2O6
Molecular Weight418.49 g/mol
Exact Mass418.21
IUPAC Name3-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
SMILESCOCCn1c(C)cc(O)c(C(c2ccc(OC)c(OC)c2)N2CCOCC2)c1=O
InChIInChI=1S/C22H30N2O6/c1-15-13-17(25)20(22(26)24(15)9-10-27-2)21(23-7-11-30-12-8-23)16-5-6-18(28-3)19(14-16)29-4/h5-6,13-14,21,25H,7-12H2,1-4H3
InChIKeyBMJFJAFYZHHOHS-UHFFFAOYSA-N
XLogP1.95
TPSA82.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one with MolForge

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Related Compounds

3-[(3,4-dimethoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
CID 54729045
3-[(R)-(3,4-dimethoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one
CID 54739812
3-[(S)-(3,4-dimethoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one
CID 54739813
3-[(R)-(4-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 54739575
3-[(3,4-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
CID 54692561
4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(R)-phenyl(piperidin-1-yl)methyl]pyridin-2-one
CID 92693364
3-[(S)-(4-ethoxyphenyl)-piperidin-1-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 92713438
4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-phenylmethyl]pyridin-2-one
CID 54703741
4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-(4-methylsulfanylphenyl)methyl]pyridin-2-one
CID 54721042
3-[(S)-[4-(4-fluorophenyl)piperazin-1-yl]-(3-methoxyphenyl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 54739508
ethyl 4-[(S)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-(3-methoxyphenyl)methyl]piperazine-1-carboxylate
CID 54739504
4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperazin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one
CID 54692672

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one?
The IUPAC name of 3-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one (CID 54729241) is 3-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one.
What is the SMILES notation for 3-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one?
The canonical SMILES for 3-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one is COCCn1c(C)cc(O)c(C(c2ccc(OC)c(OC)c2)N2CCOCC2)c1=O.
What is the InChIKey of 3-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one?
The InChIKey is BMJFJAFYZHHOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O6/c1-15-13-17(25)20(22(26)24(15)9-10-27-2)21(23-7-11-30-12-8-23)16-5-6-18(28-3)19(14-16)29-4/h5-6,13-14,21,25H,7-12H2,1-4H3.
What are the key properties of 3-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one?
3-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one has a molecular weight of 418.49 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one is sourced from PubChem (CID 54729241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).