7-(3-methoxyphenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one

C20H16N2O3S — CID 78322065

IUPAC7-(3-methoxyphenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-n2cnc3c(-c4cccc(OC)c4)csc3c2=O)cc1
InChIInChI=1S/C20H16N2O3S/c1-24-15-8-6-14(7-9-15)22-12-21-18-17(11-26-19(18)20(22)23)13-4-3-5-16(10-13)25-2/h3-12H,1-2H3
InChIKeyWTQJVGRBYHDLPD-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.13
Rot. Bonds4

About 7-(3-methoxyphenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one

7-(3-methoxyphenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one (PubChem CID 78322065) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is 7-(3-methoxyphenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(3-methoxyphenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one
PubChem CID78322065
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC Name7-(3-methoxyphenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-n2cnc3c(-c4cccc(OC)c4)csc3c2=O)cc1
InChIInChI=1S/C20H16N2O3S/c1-24-15-8-6-14(7-9-15)22-12-21-18-17(11-26-19(18)20(22)23)13-4-3-5-16(10-13)25-2/h3-12H,1-2H3
InChIKeyWTQJVGRBYHDLPD-UHFFFAOYSA-N
XLogP4.13
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(3-methoxyphenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-(3-methoxyphenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one (CID 78322065) is 7-(3-methoxyphenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-(3-methoxyphenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-(3-methoxyphenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one is COc1ccc(-n2cnc3c(-c4cccc(OC)c4)csc3c2=O)cc1.
What is the InChIKey of 7-(3-methoxyphenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is WTQJVGRBYHDLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c1-24-15-8-6-14(7-9-15)22-12-21-18-17(11-26-19(18)20(22)23)13-4-3-5-16(10-13)25-2/h3-12H,1-2H3.
What are the key properties of 7-(3-methoxyphenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one?
7-(3-methoxyphenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 364.43 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methoxyphenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 78322065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).