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

C27H23ClN2O4 — CID 53242453

IUPAC6-benzyl-5-chloro-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]pyrazin-2-one
SMILESCOc1ccc(Cn2c(Cc3ccccc3)c(Cl)nc(C(=O)c3ccc(OC)cc3)c2=O)cc1
InChIInChI=1S/C27H23ClN2O4/c1-33-21-12-8-19(9-13-21)17-30-23(16-18-6-4-3-5-7-18)26(28)29-24(27(30)32)25(31)20-10-14-22(34-2)15-11-20/h3-15H,16-17H2,1-2H3
InChIKeyNLYGINCYBWHLFM-UHFFFAOYSA-N
MW474.94 g/mol
LogP4.78
Rot. Bonds8

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

6-benzyl-5-chloro-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]pyrazin-2-one (PubChem CID 53242453) has the molecular formula C27H23ClN2O4 and a molecular weight of 474.94 g/mol. Its IUPAC name is 6-benzyl-5-chloro-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]pyrazin-2-one.

Molecular Properties

Compound Name6-benzyl-5-chloro-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]pyrazin-2-one
PubChem CID53242453
Molecular FormulaC27H23ClN2O4
Molecular Weight474.94 g/mol
Exact Mass474.13
IUPAC Name6-benzyl-5-chloro-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]pyrazin-2-one
SMILESCOc1ccc(Cn2c(Cc3ccccc3)c(Cl)nc(C(=O)c3ccc(OC)cc3)c2=O)cc1
InChIInChI=1S/C27H23ClN2O4/c1-33-21-12-8-19(9-13-21)17-30-23(16-18-6-4-3-5-7-18)26(28)29-24(27(30)32)25(31)20-10-14-22(34-2)15-11-20/h3-15H,16-17H2,1-2H3
InChIKeyNLYGINCYBWHLFM-UHFFFAOYSA-N
XLogP4.78
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.94
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]-6-methylpyrazin-2-one
CID 53242336
1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione
CID 166447403
acetic acid;3-benzyl-7-[(4-methoxyphenyl)methyl]-5-methyl-2-[(4-phenylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione
CID 143367067
3-chloro-4-[(4-methoxyphenyl)methyl]-5-phenyl-1,2,4-triazole
CID 63383428
[2-[(4-methoxyphenyl)methyl]phenyl]-phenylmethanone
CID 14451235
N-[5-benzyl-4-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-chlorobenzamide
CID 135349193
[5-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-1-methylimidazol-4-yl]-(4-methoxyphenyl)methanone
CID 101488390
(1-benzyl-6-methoxyindazol-3-yl)-phenylmethanone
CID 10472547
ethyl 3-benzoyl-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylate
CID 66668814
N-[(1-benzylbenzimidazol-2-yl)methyl]-4-methoxybenzamide
CID 17008696
2-[2-[(4-methoxyphenyl)methyl]phenyl]acetic acid
CID 12743493
3-[(4-methoxyphenyl)methyl]-5-[4-(methylamino)benzoyl]triazole-4-carboxylic acid
CID 18937617

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-5-chloro-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]pyrazin-2-one?
The IUPAC name of 6-benzyl-5-chloro-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]pyrazin-2-one (CID 53242453) is 6-benzyl-5-chloro-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]pyrazin-2-one.
What is the SMILES notation for 6-benzyl-5-chloro-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]pyrazin-2-one?
The canonical SMILES for 6-benzyl-5-chloro-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]pyrazin-2-one is COc1ccc(Cn2c(Cc3ccccc3)c(Cl)nc(C(=O)c3ccc(OC)cc3)c2=O)cc1.
What is the InChIKey of 6-benzyl-5-chloro-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]pyrazin-2-one?
The InChIKey is NLYGINCYBWHLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN2O4/c1-33-21-12-8-19(9-13-21)17-30-23(16-18-6-4-3-5-7-18)26(28)29-24(27(30)32)25(31)20-10-14-22(34-2)15-11-20/h3-15H,16-17H2,1-2H3.
What are the key properties of 6-benzyl-5-chloro-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]pyrazin-2-one?
6-benzyl-5-chloro-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]pyrazin-2-one has a molecular weight of 474.94 g/mol, XLogP of 4.78, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-5-chloro-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]pyrazin-2-one is sourced from PubChem (CID 53242453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).