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

C18H11Cl2N5O3 — CID 24937606

IUPAC9-(2,4-dichlorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
SMILESNC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2-c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H11Cl2N5O3/c19-9-4-5-12(11(20)7-9)25-17-14(23-18(25)28)13(15(21)27)22-16(24-17)8-2-1-3-10(26)6-8/h1-7,26H,(H2,21,27)(H,23,28)
InChIKeyNINLEEBDKKNBKP-UHFFFAOYSA-N
MW416.22 g/mol
LogP2.89
Rot. Bonds3

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

9-(2,4-dichlorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide (PubChem CID 24937606) has the molecular formula C18H11Cl2N5O3 and a molecular weight of 416.22 g/mol. Its IUPAC name is 9-(2,4-dichlorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide.

Molecular Properties

Compound Name9-(2,4-dichlorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
PubChem CID24937606
Molecular FormulaC18H11Cl2N5O3
Molecular Weight416.22 g/mol
Exact Mass415.02
IUPAC Name9-(2,4-dichlorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
SMILESNC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2-c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H11Cl2N5O3/c19-9-4-5-12(11(20)7-9)25-17-14(23-18(25)28)13(15(21)27)22-16(24-17)8-2-1-3-10(26)6-8/h1-7,26H,(H2,21,27)(H,23,28)
InChIKeyNINLEEBDKKNBKP-UHFFFAOYSA-N
XLogP2.89
TPSA126.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.22
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(2,4-dichlorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide?
The IUPAC name of 9-(2,4-dichlorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide (CID 24937606) is 9-(2,4-dichlorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide.
What is the SMILES notation for 9-(2,4-dichlorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide?
The canonical SMILES for 9-(2,4-dichlorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide is NC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2-c1ccc(Cl)cc1Cl.
What is the InChIKey of 9-(2,4-dichlorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide?
The InChIKey is NINLEEBDKKNBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2N5O3/c19-9-4-5-12(11(20)7-9)25-17-14(23-18(25)28)13(15(21)27)22-16(24-17)8-2-1-3-10(26)6-8/h1-7,26H,(H2,21,27)(H,23,28).
What are the key properties of 9-(2,4-dichlorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide?
9-(2,4-dichlorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide has a molecular weight of 416.22 g/mol, XLogP of 2.89, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,4-dichlorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide is sourced from PubChem (CID 24937606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).