2-(4-methoxyphenoxy)-6-(4-methoxyphenyl)-8-(thiophen-2-ylmethyl)pteridin-7-one

C25H20N4O4S — CID 3233809

IUPAC2-(4-methoxyphenoxy)-6-(4-methoxyphenyl)-8-(thiophen-2-ylmethyl)pteridin-7-one
SMILESCOc1ccc(Oc2ncc3nc(-c4ccc(OC)cc4)c(=O)n(Cc4cccs4)c3n2)cc1
InChIInChI=1S/C25H20N4O4S/c1-31-17-7-5-16(6-8-17)22-24(30)29(15-20-4-3-13-34-20)23-21(27-22)14-26-25(28-23)33-19-11-9-18(32-2)10-12-19/h3-14H,15H2,1-2H3
InChIKeyLBAKXHHDYSUDNL-UHFFFAOYSA-N
MW472.53 g/mol
LogP4.77
Rot. Bonds7

About 2-(4-methoxyphenoxy)-6-(4-methoxyphenyl)-8-(thiophen-2-ylmethyl)pteridin-7-one

2-(4-methoxyphenoxy)-6-(4-methoxyphenyl)-8-(thiophen-2-ylmethyl)pteridin-7-one (PubChem CID 3233809) has the molecular formula C25H20N4O4S and a molecular weight of 472.53 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-6-(4-methoxyphenyl)-8-(thiophen-2-ylmethyl)pteridin-7-one.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-6-(4-methoxyphenyl)-8-(thiophen-2-ylmethyl)pteridin-7-one
PubChem CID3233809
Molecular FormulaC25H20N4O4S
Molecular Weight472.53 g/mol
Exact Mass472.12
IUPAC Name2-(4-methoxyphenoxy)-6-(4-methoxyphenyl)-8-(thiophen-2-ylmethyl)pteridin-7-one
SMILESCOc1ccc(Oc2ncc3nc(-c4ccc(OC)cc4)c(=O)n(Cc4cccs4)c3n2)cc1
InChIInChI=1S/C25H20N4O4S/c1-31-17-7-5-16(6-8-17)22-24(30)29(15-20-4-3-13-34-20)23-21(27-22)14-26-25(28-23)33-19-11-9-18(32-2)10-12-19/h3-14H,15H2,1-2H3
InChIKeyLBAKXHHDYSUDNL-UHFFFAOYSA-N
XLogP4.77
TPSA88.36 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.53
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-6-(4-methoxyphenyl)-8-(thiophen-2-ylmethyl)pteridin-7-one?
The IUPAC name of 2-(4-methoxyphenoxy)-6-(4-methoxyphenyl)-8-(thiophen-2-ylmethyl)pteridin-7-one (CID 3233809) is 2-(4-methoxyphenoxy)-6-(4-methoxyphenyl)-8-(thiophen-2-ylmethyl)pteridin-7-one.
What is the SMILES notation for 2-(4-methoxyphenoxy)-6-(4-methoxyphenyl)-8-(thiophen-2-ylmethyl)pteridin-7-one?
The canonical SMILES for 2-(4-methoxyphenoxy)-6-(4-methoxyphenyl)-8-(thiophen-2-ylmethyl)pteridin-7-one is COc1ccc(Oc2ncc3nc(-c4ccc(OC)cc4)c(=O)n(Cc4cccs4)c3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-6-(4-methoxyphenyl)-8-(thiophen-2-ylmethyl)pteridin-7-one?
The InChIKey is LBAKXHHDYSUDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O4S/c1-31-17-7-5-16(6-8-17)22-24(30)29(15-20-4-3-13-34-20)23-21(27-22)14-26-25(28-23)33-19-11-9-18(32-2)10-12-19/h3-14H,15H2,1-2H3.
What are the key properties of 2-(4-methoxyphenoxy)-6-(4-methoxyphenyl)-8-(thiophen-2-ylmethyl)pteridin-7-one?
2-(4-methoxyphenoxy)-6-(4-methoxyphenyl)-8-(thiophen-2-ylmethyl)pteridin-7-one has a molecular weight of 472.53 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-6-(4-methoxyphenyl)-8-(thiophen-2-ylmethyl)pteridin-7-one is sourced from PubChem (CID 3233809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).