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

C19H16Cl2N2O3 — CID 24814191

IUPAC3,5-dichloro-6-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazin-2-one
SMILESCOc1ccc(Cn2c(-c3ccc(OC)cc3)c(Cl)nc(Cl)c2=O)cc1
InChIInChI=1S/C19H16Cl2N2O3/c1-25-14-7-3-12(4-8-14)11-23-16(17(20)22-18(21)19(23)24)13-5-9-15(26-2)10-6-13/h3-10H,11H2,1-2H3
InChIKeyMHGQSPRYSJNFIB-UHFFFAOYSA-N
MW391.25 g/mol
LogP4.28
Rot. Bonds5

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

3,5-dichloro-6-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazin-2-one (PubChem CID 24814191) has the molecular formula C19H16Cl2N2O3 and a molecular weight of 391.25 g/mol. Its IUPAC name is 3,5-dichloro-6-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazin-2-one.

Molecular Properties

Compound Name3,5-dichloro-6-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazin-2-one
PubChem CID24814191
Molecular FormulaC19H16Cl2N2O3
Molecular Weight391.25 g/mol
Exact Mass390.05
IUPAC Name3,5-dichloro-6-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazin-2-one
SMILESCOc1ccc(Cn2c(-c3ccc(OC)cc3)c(Cl)nc(Cl)c2=O)cc1
InChIInChI=1S/C19H16Cl2N2O3/c1-25-14-7-3-12(4-8-14)11-23-16(17(20)22-18(21)19(23)24)13-5-9-15(26-2)10-6-13/h3-10H,11H2,1-2H3
InChIKeyMHGQSPRYSJNFIB-UHFFFAOYSA-N
XLogP4.28
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazin-2-one?
The IUPAC name of 3,5-dichloro-6-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazin-2-one (CID 24814191) is 3,5-dichloro-6-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazin-2-one.
What is the SMILES notation for 3,5-dichloro-6-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazin-2-one?
The canonical SMILES for 3,5-dichloro-6-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazin-2-one is COc1ccc(Cn2c(-c3ccc(OC)cc3)c(Cl)nc(Cl)c2=O)cc1.
What is the InChIKey of 3,5-dichloro-6-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazin-2-one?
The InChIKey is MHGQSPRYSJNFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O3/c1-25-14-7-3-12(4-8-14)11-23-16(17(20)22-18(21)19(23)24)13-5-9-15(26-2)10-6-13/h3-10H,11H2,1-2H3.
What are the key properties of 3,5-dichloro-6-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazin-2-one?
3,5-dichloro-6-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazin-2-one has a molecular weight of 391.25 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazin-2-one is sourced from PubChem (CID 24814191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).