3-benzyl-5-chloro-6-methyl-1-phenylpyrazin-2-one

C18H15ClN2O — CID 10638735

IUPAC3-benzyl-5-chloro-6-methyl-1-phenylpyrazin-2-one
SMILESCc1c(Cl)nc(Cc2ccccc2)c(=O)n1-c1ccccc1
InChIInChI=1S/C18H15ClN2O/c1-13-17(19)20-16(12-14-8-4-2-5-9-14)18(22)21(13)15-10-6-3-7-11-15/h2-11H,12H2,1H3
InChIKeyLEDPUBPAWJJWGJ-UHFFFAOYSA-N
MW310.78 g/mol
LogP3.79
Rot. Bonds3

About 3-benzyl-5-chloro-6-methyl-1-phenylpyrazin-2-one

3-benzyl-5-chloro-6-methyl-1-phenylpyrazin-2-one (PubChem CID 10638735) has the molecular formula C18H15ClN2O and a molecular weight of 310.78 g/mol. Its IUPAC name is 3-benzyl-5-chloro-6-methyl-1-phenylpyrazin-2-one.

Molecular Properties

Compound Name3-benzyl-5-chloro-6-methyl-1-phenylpyrazin-2-one
PubChem CID10638735
Molecular FormulaC18H15ClN2O
Molecular Weight310.78 g/mol
Exact Mass310.09
IUPAC Name3-benzyl-5-chloro-6-methyl-1-phenylpyrazin-2-one
SMILESCc1c(Cl)nc(Cc2ccccc2)c(=O)n1-c1ccccc1
InChIInChI=1S/C18H15ClN2O/c1-13-17(19)20-16(12-14-8-4-2-5-9-14)18(22)21(13)15-10-6-3-7-11-15/h2-11H,12H2,1H3
InChIKeyLEDPUBPAWJJWGJ-UHFFFAOYSA-N
XLogP3.79
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-6-methyl-1-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-one
CID 102210604
1-benzyl-5-chloro-6-methyl-3-(methylamino)pyrazin-2-one
CID 142172858
3,5-dichloro-6-(2-methylphenyl)-1-phenylpyrazin-2-one
CID 45268991
2-benzyl-6-methyl-3-phenylpyrimidin-4-one
CID 13280786
2,5-dichloro-6-methyl-3-phenylpyrimidin-4-one
CID 154123785
2-benzyl-4-(3-hydroxyphenyl)pyrido[2,3-b]pyrazin-3-one
CID 22723985
3,5-dibenzyl-1-(3,4-dichlorophenyl)-1,2,4-triazin-6-one
CID 175402521
3-(2-benzyl-3-oxopyrido[2,3-b]pyrazin-4-yl)benzonitrile
CID 22724172
N-[3-(2-benzyl-3-oxopyrido[2,3-b]pyrazin-4-yl)phenyl]-N-methylacetamide
CID 22724379
4-benzyl-6,7-dichloro-2-methylphthalazin-1-one
CID 15959100
3-benzyl-5-methyl-4-nitroso-1-phenylpyrazole
CID 154148150
5-chloro-2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxylic acid
CID 67979466

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-chloro-6-methyl-1-phenylpyrazin-2-one?
The IUPAC name of 3-benzyl-5-chloro-6-methyl-1-phenylpyrazin-2-one (CID 10638735) is 3-benzyl-5-chloro-6-methyl-1-phenylpyrazin-2-one.
What is the SMILES notation for 3-benzyl-5-chloro-6-methyl-1-phenylpyrazin-2-one?
The canonical SMILES for 3-benzyl-5-chloro-6-methyl-1-phenylpyrazin-2-one is Cc1c(Cl)nc(Cc2ccccc2)c(=O)n1-c1ccccc1.
What is the InChIKey of 3-benzyl-5-chloro-6-methyl-1-phenylpyrazin-2-one?
The InChIKey is LEDPUBPAWJJWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O/c1-13-17(19)20-16(12-14-8-4-2-5-9-14)18(22)21(13)15-10-6-3-7-11-15/h2-11H,12H2,1H3.
What are the key properties of 3-benzyl-5-chloro-6-methyl-1-phenylpyrazin-2-one?
3-benzyl-5-chloro-6-methyl-1-phenylpyrazin-2-one has a molecular weight of 310.78 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-chloro-6-methyl-1-phenylpyrazin-2-one is sourced from PubChem (CID 10638735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).