3-(3,4-dimethoxyphenyl)-5-[(2-methoxyphenyl)methyl]-2,5-dihydro-1H-pyrazin-6-one

C20H22N2O4 — CID 151524485

IUPAC3-(3,4-dimethoxyphenyl)-5-[(2-methoxyphenyl)methyl]-2,5-dihydro-1H-pyrazin-6-one
SMILESCOc1ccccc1CC1N=C(c2ccc(OC)c(OC)c2)CNC1=O
InChIInChI=1S/C20H22N2O4/c1-24-17-7-5-4-6-14(17)10-15-20(23)21-12-16(22-15)13-8-9-18(25-2)19(11-13)26-3/h4-9,11,15H,10,12H2,1-3H3,(H,21,23)
InChIKeyPVDWQZBHYJBKMH-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.24
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-5-[(2-methoxyphenyl)methyl]-2,5-dihydro-1H-pyrazin-6-one

3-(3,4-dimethoxyphenyl)-5-[(2-methoxyphenyl)methyl]-2,5-dihydro-1H-pyrazin-6-one (PubChem CID 151524485) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-5-[(2-methoxyphenyl)methyl]-2,5-dihydro-1H-pyrazin-6-one.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-5-[(2-methoxyphenyl)methyl]-2,5-dihydro-1H-pyrazin-6-one
PubChem CID151524485
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name3-(3,4-dimethoxyphenyl)-5-[(2-methoxyphenyl)methyl]-2,5-dihydro-1H-pyrazin-6-one
SMILESCOc1ccccc1CC1N=C(c2ccc(OC)c(OC)c2)CNC1=O
InChIInChI=1S/C20H22N2O4/c1-24-17-7-5-4-6-14(17)10-15-20(23)21-12-16(22-15)13-8-9-18(25-2)19(11-13)26-3/h4-9,11,15H,10,12H2,1-3H3,(H,21,23)
InChIKeyPVDWQZBHYJBKMH-UHFFFAOYSA-N
XLogP2.24
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-[3-methoxy-4-[(2-methoxyphenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
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2-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-one
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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-5-[(2-methoxyphenyl)methyl]-2,5-dihydro-1H-pyrazin-6-one?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-5-[(2-methoxyphenyl)methyl]-2,5-dihydro-1H-pyrazin-6-one (CID 151524485) is 3-(3,4-dimethoxyphenyl)-5-[(2-methoxyphenyl)methyl]-2,5-dihydro-1H-pyrazin-6-one.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-5-[(2-methoxyphenyl)methyl]-2,5-dihydro-1H-pyrazin-6-one?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-5-[(2-methoxyphenyl)methyl]-2,5-dihydro-1H-pyrazin-6-one is COc1ccccc1CC1N=C(c2ccc(OC)c(OC)c2)CNC1=O.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-5-[(2-methoxyphenyl)methyl]-2,5-dihydro-1H-pyrazin-6-one?
The InChIKey is PVDWQZBHYJBKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-24-17-7-5-4-6-14(17)10-15-20(23)21-12-16(22-15)13-8-9-18(25-2)19(11-13)26-3/h4-9,11,15H,10,12H2,1-3H3,(H,21,23).
What are the key properties of 3-(3,4-dimethoxyphenyl)-5-[(2-methoxyphenyl)methyl]-2,5-dihydro-1H-pyrazin-6-one?
3-(3,4-dimethoxyphenyl)-5-[(2-methoxyphenyl)methyl]-2,5-dihydro-1H-pyrazin-6-one has a molecular weight of 354.41 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-5-[(2-methoxyphenyl)methyl]-2,5-dihydro-1H-pyrazin-6-one is sourced from PubChem (CID 151524485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).