2-(3-chlorophenyl)-9-(3-methoxyphenyl)-7-methyl-8-oxopurine-6-carboxamide

C20H16ClN5O3 — CID 20854879

IUPAC2-(3-chlorophenyl)-9-(3-methoxyphenyl)-7-methyl-8-oxopurine-6-carboxamide
SMILESCOc1cccc(-n2c(=O)n(C)c3c(C(N)=O)nc(-c4cccc(Cl)c4)nc32)c1
InChIInChI=1S/C20H16ClN5O3/c1-25-16-15(17(22)27)23-18(11-5-3-6-12(21)9-11)24-19(16)26(20(25)28)13-7-4-8-14(10-13)29-2/h3-10H,1-2H3,(H2,22,27)
InChIKeyRCLIGZOZIBQVQD-UHFFFAOYSA-N
MW409.83 g/mol
LogP2.55
Rot. Bonds4

About 2-(3-chlorophenyl)-9-(3-methoxyphenyl)-7-methyl-8-oxopurine-6-carboxamide

2-(3-chlorophenyl)-9-(3-methoxyphenyl)-7-methyl-8-oxopurine-6-carboxamide (PubChem CID 20854879) has the molecular formula C20H16ClN5O3 and a molecular weight of 409.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-9-(3-methoxyphenyl)-7-methyl-8-oxopurine-6-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-9-(3-methoxyphenyl)-7-methyl-8-oxopurine-6-carboxamide
PubChem CID20854879
Molecular FormulaC20H16ClN5O3
Molecular Weight409.83 g/mol
Exact Mass409.09
IUPAC Name2-(3-chlorophenyl)-9-(3-methoxyphenyl)-7-methyl-8-oxopurine-6-carboxamide
SMILESCOc1cccc(-n2c(=O)n(C)c3c(C(N)=O)nc(-c4cccc(Cl)c4)nc32)c1
InChIInChI=1S/C20H16ClN5O3/c1-25-16-15(17(22)27)23-18(11-5-3-6-12(21)9-11)24-19(16)26(20(25)28)13-7-4-8-14(10-13)29-2/h3-10H,1-2H3,(H2,22,27)
InChIKeyRCLIGZOZIBQVQD-UHFFFAOYSA-N
XLogP2.55
TPSA105.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.83
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(3-chlorophenyl)-9-(3-methoxyphenyl)-7-methyl-8-oxopurine-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

9-(3-methoxyphenyl)-7-methyl-8-oxo-2-[4-(trifluoromethyl)phenyl]purine-6-carboxamide
CID 20854886
9-(3-methoxyphenyl)-7-methyl-8-oxo-2-propan-2-ylpurine-6-carboxamide
CID 20854887
2-(3,5-dimethoxyphenyl)-9-(3,4-dimethylphenyl)-7-methyl-8-oxopurine-6-carboxamide
CID 53088320
2,9-bis(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 7422839
7-benzyl-9-(3,4-dimethylphenyl)-2-(3-methoxyphenyl)-8-oxopurine-6-carboxamide
CID 53088289
9-(3,4-dimethylphenyl)-7-methyl-2-(4-methylphenyl)-8-oxopurine-6-carboxamide
CID 53008362
9-(3-methoxyphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide
CID 7599621
9-(3-chlorophenyl)-2-(2,5-dimethoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 23603324
2-(4-ethoxy-3-methoxyphenyl)-9-(4-fluorophenyl)-7-methyl-8-oxopurine-6-carboxamide
CID 53088232
2-(4-ethoxyphenyl)-9-(4-fluorophenyl)-7-methyl-8-oxopurine-6-carboxamide
CID 53088237
9-(2-methoxyphenyl)-2-(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 7196971
2-(3,5-dimethoxyphenyl)-7-ethyl-9-(4-fluorophenyl)-8-oxopurine-6-carboxamide
CID 53088202

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-9-(3-methoxyphenyl)-7-methyl-8-oxopurine-6-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-9-(3-methoxyphenyl)-7-methyl-8-oxopurine-6-carboxamide (CID 20854879) is 2-(3-chlorophenyl)-9-(3-methoxyphenyl)-7-methyl-8-oxopurine-6-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-9-(3-methoxyphenyl)-7-methyl-8-oxopurine-6-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-9-(3-methoxyphenyl)-7-methyl-8-oxopurine-6-carboxamide is COc1cccc(-n2c(=O)n(C)c3c(C(N)=O)nc(-c4cccc(Cl)c4)nc32)c1.
What is the InChIKey of 2-(3-chlorophenyl)-9-(3-methoxyphenyl)-7-methyl-8-oxopurine-6-carboxamide?
The InChIKey is RCLIGZOZIBQVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O3/c1-25-16-15(17(22)27)23-18(11-5-3-6-12(21)9-11)24-19(16)26(20(25)28)13-7-4-8-14(10-13)29-2/h3-10H,1-2H3,(H2,22,27).
What are the key properties of 2-(3-chlorophenyl)-9-(3-methoxyphenyl)-7-methyl-8-oxopurine-6-carboxamide?
2-(3-chlorophenyl)-9-(3-methoxyphenyl)-7-methyl-8-oxopurine-6-carboxamide has a molecular weight of 409.83 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-9-(3-methoxyphenyl)-7-methyl-8-oxopurine-6-carboxamide is sourced from PubChem (CID 20854879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).