6-(4-chlorophenyl)-2-(4-methoxyphenoxy)-8-methylpteridin-7-one

C20H15ClN4O3 — CID 3235196

IUPAC6-(4-chlorophenyl)-2-(4-methoxyphenoxy)-8-methylpteridin-7-one
SMILESCOc1ccc(Oc2ncc3nc(-c4ccc(Cl)cc4)c(=O)n(C)c3n2)cc1
InChIInChI=1S/C20H15ClN4O3/c1-25-18-16(23-17(19(25)26)12-3-5-13(21)6-4-12)11-22-20(24-18)28-15-9-7-14(27-2)8-10-15/h3-11H,1-2H3
InChIKeyUXHNMKSFRPUHTJ-UHFFFAOYSA-N
MW394.82 g/mol
LogP3.84
Rot. Bonds4

About 6-(4-chlorophenyl)-2-(4-methoxyphenoxy)-8-methylpteridin-7-one

6-(4-chlorophenyl)-2-(4-methoxyphenoxy)-8-methylpteridin-7-one (PubChem CID 3235196) has the molecular formula C20H15ClN4O3 and a molecular weight of 394.82 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-(4-methoxyphenoxy)-8-methylpteridin-7-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-(4-methoxyphenoxy)-8-methylpteridin-7-one
PubChem CID3235196
Molecular FormulaC20H15ClN4O3
Molecular Weight394.82 g/mol
Exact Mass394.08
IUPAC Name6-(4-chlorophenyl)-2-(4-methoxyphenoxy)-8-methylpteridin-7-one
SMILESCOc1ccc(Oc2ncc3nc(-c4ccc(Cl)cc4)c(=O)n(C)c3n2)cc1
InChIInChI=1S/C20H15ClN4O3/c1-25-18-16(23-17(19(25)26)12-3-5-13(21)6-4-12)11-22-20(24-18)28-15-9-7-14(27-2)8-10-15/h3-11H,1-2H3
InChIKeyUXHNMKSFRPUHTJ-UHFFFAOYSA-N
XLogP3.84
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.82
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-(4-methoxyphenoxy)-8-methylpteridin-7-one?
The IUPAC name of 6-(4-chlorophenyl)-2-(4-methoxyphenoxy)-8-methylpteridin-7-one (CID 3235196) is 6-(4-chlorophenyl)-2-(4-methoxyphenoxy)-8-methylpteridin-7-one.
What is the SMILES notation for 6-(4-chlorophenyl)-2-(4-methoxyphenoxy)-8-methylpteridin-7-one?
The canonical SMILES for 6-(4-chlorophenyl)-2-(4-methoxyphenoxy)-8-methylpteridin-7-one is COc1ccc(Oc2ncc3nc(-c4ccc(Cl)cc4)c(=O)n(C)c3n2)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-2-(4-methoxyphenoxy)-8-methylpteridin-7-one?
The InChIKey is UXHNMKSFRPUHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O3/c1-25-18-16(23-17(19(25)26)12-3-5-13(21)6-4-12)11-22-20(24-18)28-15-9-7-14(27-2)8-10-15/h3-11H,1-2H3.
What are the key properties of 6-(4-chlorophenyl)-2-(4-methoxyphenoxy)-8-methylpteridin-7-one?
6-(4-chlorophenyl)-2-(4-methoxyphenoxy)-8-methylpteridin-7-one has a molecular weight of 394.82 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-(4-methoxyphenoxy)-8-methylpteridin-7-one is sourced from PubChem (CID 3235196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).