5-chloro-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]-6-methylpyrazin-2-one

C21H19ClN2O4 — CID 53242336

IUPAC5-chloro-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]-6-methylpyrazin-2-one
SMILESCOc1ccc(Cn2c(C)c(Cl)nc(C(=O)c3ccc(OC)cc3)c2=O)cc1
InChIInChI=1S/C21H19ClN2O4/c1-13-20(22)23-18(19(25)15-6-10-17(28-3)11-7-15)21(26)24(13)12-14-4-8-16(27-2)9-5-14/h4-11H,12H2,1-3H3
InChIKeyAZPFOIWMTGHSEL-UHFFFAOYSA-N
MW398.85 g/mol
LogP3.50
Rot. Bonds6

About 5-chloro-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]-6-methylpyrazin-2-one

5-chloro-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]-6-methylpyrazin-2-one (PubChem CID 53242336) has the molecular formula C21H19ClN2O4 and a molecular weight of 398.85 g/mol. Its IUPAC name is 5-chloro-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]-6-methylpyrazin-2-one.

Molecular Properties

Compound Name5-chloro-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]-6-methylpyrazin-2-one
PubChem CID53242336
Molecular FormulaC21H19ClN2O4
Molecular Weight398.85 g/mol
Exact Mass398.10
IUPAC Name5-chloro-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]-6-methylpyrazin-2-one
SMILESCOc1ccc(Cn2c(C)c(Cl)nc(C(=O)c3ccc(OC)cc3)c2=O)cc1
InChIInChI=1S/C21H19ClN2O4/c1-13-20(22)23-18(19(25)15-6-10-17(28-3)11-7-15)21(26)24(13)12-14-4-8-16(27-2)9-5-14/h4-11H,12H2,1-3H3
InChIKeyAZPFOIWMTGHSEL-UHFFFAOYSA-N
XLogP3.50
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-benzyl-5-chloro-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]pyrazin-2-one
CID 53242453
6-amino-4-chloro-8-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-d]pyrimidin-7-one
CID 167527245
methyl 2,4-dichloro-5-[(4-methoxyphenyl)methyl]pyrimido[5,4-b]indole-7-carboxylate
CID 171842045
methyl 1-[(4-methoxyphenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 134360348
ethyl 3-benzoyl-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylate
CID 66668814
(3,4-dichlorophenyl)-(4-methoxyphenyl)methanone
CID 2758123
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
5,6-dichloro-2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole
CID 163409698
3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate
CID 3606275
3-[(4-methoxyphenyl)methyl]-5-[4-(methylamino)benzoyl]triazole-4-carboxylic acid
CID 18937617
2-[6-[(4-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 23601377
diethyl 2-[6-chloro-4-[(4-methoxyphenyl)methyl]-3-oxopyrazin-2-yl]propanedioate
CID 102289828

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]-6-methylpyrazin-2-one?
The IUPAC name of 5-chloro-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]-6-methylpyrazin-2-one (CID 53242336) is 5-chloro-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]-6-methylpyrazin-2-one.
What is the SMILES notation for 5-chloro-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]-6-methylpyrazin-2-one?
The canonical SMILES for 5-chloro-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]-6-methylpyrazin-2-one is COc1ccc(Cn2c(C)c(Cl)nc(C(=O)c3ccc(OC)cc3)c2=O)cc1.
What is the InChIKey of 5-chloro-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]-6-methylpyrazin-2-one?
The InChIKey is AZPFOIWMTGHSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O4/c1-13-20(22)23-18(19(25)15-6-10-17(28-3)11-7-15)21(26)24(13)12-14-4-8-16(27-2)9-5-14/h4-11H,12H2,1-3H3.
What are the key properties of 5-chloro-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]-6-methylpyrazin-2-one?
5-chloro-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]-6-methylpyrazin-2-one has a molecular weight of 398.85 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]-6-methylpyrazin-2-one is sourced from PubChem (CID 53242336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).