9-(3,4-dichlorophenyl)-2-(4-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide

C20H15Cl2N5O3 — CID 16815160

IUPAC9-(3,4-dichlorophenyl)-2-(4-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide
SMILESCCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccc(Cl)c(Cl)c4)c3n2)cc1
InChIInChI=1S/C20H15Cl2N5O3/c1-2-30-12-6-3-10(4-7-12)18-24-15(17(23)28)16-19(26-18)27(20(29)25-16)11-5-8-13(21)14(22)9-11/h3-9H,2H2,1H3,(H2,23,28)(H,25,29)
InChIKeyXJUAZAQHJLLYGL-UHFFFAOYSA-N
MW444.28 g/mol
LogP3.58
Rot. Bonds5

About 9-(3,4-dichlorophenyl)-2-(4-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide

9-(3,4-dichlorophenyl)-2-(4-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide (PubChem CID 16815160) has the molecular formula C20H15Cl2N5O3 and a molecular weight of 444.28 g/mol. Its IUPAC name is 9-(3,4-dichlorophenyl)-2-(4-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide.

Molecular Properties

Compound Name9-(3,4-dichlorophenyl)-2-(4-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide
PubChem CID16815160
Molecular FormulaC20H15Cl2N5O3
Molecular Weight444.28 g/mol
Exact Mass443.06
IUPAC Name9-(3,4-dichlorophenyl)-2-(4-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide
SMILESCCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccc(Cl)c(Cl)c4)c3n2)cc1
InChIInChI=1S/C20H15Cl2N5O3/c1-2-30-12-6-3-10(4-7-12)18-24-15(17(23)28)16-19(26-18)27(20(29)25-16)11-5-8-13(21)14(22)9-11/h3-9H,2H2,1H3,(H2,23,28)(H,25,29)
InChIKeyXJUAZAQHJLLYGL-UHFFFAOYSA-N
XLogP3.58
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.28
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 9-(3,4-dichlorophenyl)-2-(4-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[6-carbamoyl-2-(4-ethoxyphenyl)-8-oxo-7H-purin-9-yl]benzoate
CID 130298934
9-(3,4-dichlorophenyl)-2-(2-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 16815187
9-(4-ethoxyphenyl)-2-(4-nitrophenyl)-8-oxo-7H-purine-6-carboxamide
CID 18573982
9-(3,4-dichlorophenyl)-8-oxo-2-pyridin-4-yl-7H-purine-6-carboxamide
CID 7119031
butyl 3-[6-carbamoyl-2-(4-ethoxyphenyl)-8-oxo-7H-purin-9-yl]benzoate
CID 130340031
2-(4-butoxyphenyl)-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide
CID 22577547
2-(4-ethoxyphenyl)-N-hydroxy-8-oxo-9-phenyl-7H-purine-6-carboxamide
CID 130340242
2-(4-ethoxyphenyl)-9-(4-ethylphenyl)-8-sulfanylidene-7H-purine-6-carboxamide
CID 130340425
2-(3-ethoxy-2-hydroxyphenyl)-9-(4-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 135732216
ethyl 3-[6-carbamoyl-8-oxo-2-(4-phenylphenyl)-7H-purin-9-yl]benzoate
CID 130340366
9-(3,4-dimethoxyphenyl)-8-oxo-2-phenyl-7H-purine-6-carboxamide
CID 16810176
2-(4-ethoxyphenyl)-N'-hydroxy-9-(3-nitrophenyl)-8-oxo-7H-purine-6-carboximidamide
CID 149401949

Frequently Asked Questions

What is the IUPAC name of 9-(3,4-dichlorophenyl)-2-(4-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide?
The IUPAC name of 9-(3,4-dichlorophenyl)-2-(4-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide (CID 16815160) is 9-(3,4-dichlorophenyl)-2-(4-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide.
What is the SMILES notation for 9-(3,4-dichlorophenyl)-2-(4-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide?
The canonical SMILES for 9-(3,4-dichlorophenyl)-2-(4-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide is CCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccc(Cl)c(Cl)c4)c3n2)cc1.
What is the InChIKey of 9-(3,4-dichlorophenyl)-2-(4-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide?
The InChIKey is XJUAZAQHJLLYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N5O3/c1-2-30-12-6-3-10(4-7-12)18-24-15(17(23)28)16-19(26-18)27(20(29)25-16)11-5-8-13(21)14(22)9-11/h3-9H,2H2,1H3,(H2,23,28)(H,25,29).
What are the key properties of 9-(3,4-dichlorophenyl)-2-(4-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide?
9-(3,4-dichlorophenyl)-2-(4-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide has a molecular weight of 444.28 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4-dichlorophenyl)-2-(4-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide is sourced from PubChem (CID 16815160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).