2-(3-hydroxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide

C18H13N5O3 — CID 16825178

IUPAC2-(3-hydroxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide
SMILESNC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2-c1ccccc1
InChIInChI=1S/C18H13N5O3/c19-15(25)13-14-17(22-16(20-13)10-5-4-8-12(24)9-10)23(18(26)21-14)11-6-2-1-3-7-11/h1-9,24H,(H2,19,25)(H,21,26)
InChIKeyJFESRFZJVBQIAZ-UHFFFAOYSA-N
MW347.33 g/mol
LogP1.58
Rot. Bonds3

About 2-(3-hydroxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide

2-(3-hydroxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide (PubChem CID 16825178) has the molecular formula C18H13N5O3 and a molecular weight of 347.33 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide
PubChem CID16825178
Molecular FormulaC18H13N5O3
Molecular Weight347.33 g/mol
Exact Mass347.10
IUPAC Name2-(3-hydroxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide
SMILESNC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2-c1ccccc1
InChIInChI=1S/C18H13N5O3/c19-15(25)13-14-17(22-16(20-13)10-5-4-8-12(24)9-10)23(18(26)21-14)11-6-2-1-3-7-11/h1-9,24H,(H2,19,25)(H,21,26)
InChIKeyJFESRFZJVBQIAZ-UHFFFAOYSA-N
XLogP1.58
TPSA126.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide?
The IUPAC name of 2-(3-hydroxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide (CID 16825178) is 2-(3-hydroxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide.
What is the SMILES notation for 2-(3-hydroxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide?
The canonical SMILES for 2-(3-hydroxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide is NC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2-c1ccccc1.
What is the InChIKey of 2-(3-hydroxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide?
The InChIKey is JFESRFZJVBQIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O3/c19-15(25)13-14-17(22-16(20-13)10-5-4-8-12(24)9-10)23(18(26)21-14)11-6-2-1-3-7-11/h1-9,24H,(H2,19,25)(H,21,26).
What are the key properties of 2-(3-hydroxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide?
2-(3-hydroxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide has a molecular weight of 347.33 g/mol, XLogP of 1.58, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide is sourced from PubChem (CID 16825178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).