2-(2-chloro-3-hydroxyphenyl)-9-(2-methoxyphenyl)-7H-purin-8-one

C18H13ClN4O3 — CID 68892910

IUPAC2-(2-chloro-3-hydroxyphenyl)-9-(2-methoxyphenyl)-7H-purin-8-one
SMILESCOc1ccccc1-n1c(=O)[nH]c2cnc(-c3cccc(O)c3Cl)nc21
InChIInChI=1S/C18H13ClN4O3/c1-26-14-8-3-2-6-12(14)23-17-11(21-18(23)25)9-20-16(22-17)10-5-4-7-13(24)15(10)19/h2-9,24H,1H3,(H,21,25)
InChIKeyUEVNJSODEXVFAY-UHFFFAOYSA-N
MW368.78 g/mol
LogP3.14
Rot. Bonds3

About 2-(2-chloro-3-hydroxyphenyl)-9-(2-methoxyphenyl)-7H-purin-8-one

2-(2-chloro-3-hydroxyphenyl)-9-(2-methoxyphenyl)-7H-purin-8-one (PubChem CID 68892910) has the molecular formula C18H13ClN4O3 and a molecular weight of 368.78 g/mol. Its IUPAC name is 2-(2-chloro-3-hydroxyphenyl)-9-(2-methoxyphenyl)-7H-purin-8-one.

Molecular Properties

Compound Name2-(2-chloro-3-hydroxyphenyl)-9-(2-methoxyphenyl)-7H-purin-8-one
PubChem CID68892910
Molecular FormulaC18H13ClN4O3
Molecular Weight368.78 g/mol
Exact Mass368.07
IUPAC Name2-(2-chloro-3-hydroxyphenyl)-9-(2-methoxyphenyl)-7H-purin-8-one
SMILESCOc1ccccc1-n1c(=O)[nH]c2cnc(-c3cccc(O)c3Cl)nc21
InChIInChI=1S/C18H13ClN4O3/c1-26-14-8-3-2-6-12(14)23-17-11(21-18(23)25)9-20-16(22-17)10-5-4-7-13(24)15(10)19/h2-9,24H,1H3,(H,21,25)
InChIKeyUEVNJSODEXVFAY-UHFFFAOYSA-N
XLogP3.14
TPSA93.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.78
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-hydroxyphenyl)-9-(2-methoxyphenyl)-7H-purin-8-one?
The IUPAC name of 2-(2-chloro-3-hydroxyphenyl)-9-(2-methoxyphenyl)-7H-purin-8-one (CID 68892910) is 2-(2-chloro-3-hydroxyphenyl)-9-(2-methoxyphenyl)-7H-purin-8-one.
What is the SMILES notation for 2-(2-chloro-3-hydroxyphenyl)-9-(2-methoxyphenyl)-7H-purin-8-one?
The canonical SMILES for 2-(2-chloro-3-hydroxyphenyl)-9-(2-methoxyphenyl)-7H-purin-8-one is COc1ccccc1-n1c(=O)[nH]c2cnc(-c3cccc(O)c3Cl)nc21.
What is the InChIKey of 2-(2-chloro-3-hydroxyphenyl)-9-(2-methoxyphenyl)-7H-purin-8-one?
The InChIKey is UEVNJSODEXVFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O3/c1-26-14-8-3-2-6-12(14)23-17-11(21-18(23)25)9-20-16(22-17)10-5-4-7-13(24)15(10)19/h2-9,24H,1H3,(H,21,25).
What are the key properties of 2-(2-chloro-3-hydroxyphenyl)-9-(2-methoxyphenyl)-7H-purin-8-one?
2-(2-chloro-3-hydroxyphenyl)-9-(2-methoxyphenyl)-7H-purin-8-one has a molecular weight of 368.78 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-hydroxyphenyl)-9-(2-methoxyphenyl)-7H-purin-8-one is sourced from PubChem (CID 68892910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).