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

C22H16N4O3S2 — CID 3234435

IUPAC2-(4-methoxyphenoxy)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one
SMILESCOc1ccc(Oc2ncc3nc(-c4cccs4)c(=O)n(Cc4cccs4)c3n2)cc1
InChIInChI=1S/C22H16N4O3S2/c1-28-14-6-8-15(9-7-14)29-22-23-12-17-20(25-22)26(13-16-4-2-10-30-16)21(27)19(24-17)18-5-3-11-31-18/h2-12H,13H2,1H3
InChIKeyAWSFSJFODHIOFI-UHFFFAOYSA-N
MW448.53 g/mol
LogP4.83
Rot. Bonds6

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

2-(4-methoxyphenoxy)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one (PubChem CID 3234435) has the molecular formula C22H16N4O3S2 and a molecular weight of 448.53 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one
PubChem CID3234435
Molecular FormulaC22H16N4O3S2
Molecular Weight448.53 g/mol
Exact Mass448.07
IUPAC Name2-(4-methoxyphenoxy)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one
SMILESCOc1ccc(Oc2ncc3nc(-c4cccs4)c(=O)n(Cc4cccs4)c3n2)cc1
InChIInChI=1S/C22H16N4O3S2/c1-28-14-6-8-15(9-7-14)29-22-23-12-17-20(25-22)26(13-16-4-2-10-30-16)21(27)19(24-17)18-5-3-11-31-18/h2-12H,13H2,1H3
InChIKeyAWSFSJFODHIOFI-UHFFFAOYSA-N
XLogP4.83
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 54.83
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-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one?
The IUPAC name of 2-(4-methoxyphenoxy)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one (CID 3234435) is 2-(4-methoxyphenoxy)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one.
What is the SMILES notation for 2-(4-methoxyphenoxy)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one?
The canonical SMILES for 2-(4-methoxyphenoxy)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one is COc1ccc(Oc2ncc3nc(-c4cccs4)c(=O)n(Cc4cccs4)c3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one?
The InChIKey is AWSFSJFODHIOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O3S2/c1-28-14-6-8-15(9-7-14)29-22-23-12-17-20(25-22)26(13-16-4-2-10-30-16)21(27)19(24-17)18-5-3-11-31-18/h2-12H,13H2,1H3.
What are the key properties of 2-(4-methoxyphenoxy)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one?
2-(4-methoxyphenoxy)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one has a molecular weight of 448.53 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one is sourced from PubChem (CID 3234435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).