methyl 4-(3,5-dichloro-6-oxo-1-phenylpyrazin-2-yl)benzoate

C18H12Cl2N2O3 — CID 45269852

IUPACmethyl 4-(3,5-dichloro-6-oxo-1-phenylpyrazin-2-yl)benzoate
SMILESCOC(=O)c1ccc(-c2c(Cl)nc(Cl)c(=O)n2-c2ccccc2)cc1
InChIInChI=1S/C18H12Cl2N2O3/c1-25-18(24)12-9-7-11(8-10-12)14-15(19)21-16(20)17(23)22(14)13-5-3-2-4-6-13/h2-10H,1H3
InChIKeyZVMGHWMZJCBKOU-UHFFFAOYSA-N
MW375.21 g/mol
LogP3.99
Rot. Bonds3

About methyl 4-(3,5-dichloro-6-oxo-1-phenylpyrazin-2-yl)benzoate

methyl 4-(3,5-dichloro-6-oxo-1-phenylpyrazin-2-yl)benzoate (PubChem CID 45269852) has the molecular formula C18H12Cl2N2O3 and a molecular weight of 375.21 g/mol. Its IUPAC name is methyl 4-(3,5-dichloro-6-oxo-1-phenylpyrazin-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(3,5-dichloro-6-oxo-1-phenylpyrazin-2-yl)benzoate
PubChem CID45269852
Molecular FormulaC18H12Cl2N2O3
Molecular Weight375.21 g/mol
Exact Mass374.02
IUPAC Namemethyl 4-(3,5-dichloro-6-oxo-1-phenylpyrazin-2-yl)benzoate
SMILESCOC(=O)c1ccc(-c2c(Cl)nc(Cl)c(=O)n2-c2ccccc2)cc1
InChIInChI=1S/C18H12Cl2N2O3/c1-25-18(24)12-9-7-11(8-10-12)14-15(19)21-16(20)17(23)22(14)13-5-3-2-4-6-13/h2-10H,1H3
InChIKeyZVMGHWMZJCBKOU-UHFFFAOYSA-N
XLogP3.99
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.21
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(3,5-dichloro-6-oxo-1-phenylpyrazin-2-yl)benzoate?
The IUPAC name of methyl 4-(3,5-dichloro-6-oxo-1-phenylpyrazin-2-yl)benzoate (CID 45269852) is methyl 4-(3,5-dichloro-6-oxo-1-phenylpyrazin-2-yl)benzoate.
What is the SMILES notation for methyl 4-(3,5-dichloro-6-oxo-1-phenylpyrazin-2-yl)benzoate?
The canonical SMILES for methyl 4-(3,5-dichloro-6-oxo-1-phenylpyrazin-2-yl)benzoate is COC(=O)c1ccc(-c2c(Cl)nc(Cl)c(=O)n2-c2ccccc2)cc1.
What is the InChIKey of methyl 4-(3,5-dichloro-6-oxo-1-phenylpyrazin-2-yl)benzoate?
The InChIKey is ZVMGHWMZJCBKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N2O3/c1-25-18(24)12-9-7-11(8-10-12)14-15(19)21-16(20)17(23)22(14)13-5-3-2-4-6-13/h2-10H,1H3.
What are the key properties of methyl 4-(3,5-dichloro-6-oxo-1-phenylpyrazin-2-yl)benzoate?
methyl 4-(3,5-dichloro-6-oxo-1-phenylpyrazin-2-yl)benzoate has a molecular weight of 375.21 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3,5-dichloro-6-oxo-1-phenylpyrazin-2-yl)benzoate is sourced from PubChem (CID 45269852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).