6-(4-chlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one

C19H13ClN2O3S — CID 16718615

IUPAC6-(4-chlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)cc1O
InChIInChI=1S/C19H13ClN2O3S/c1-25-16-7-6-13(8-15(16)23)22-10-21-14-9-17(26-18(14)19(22)24)11-2-4-12(20)5-3-11/h2-10,23H,1H3
InChIKeyYCJDEIWIYKAKRE-UHFFFAOYSA-N
MW384.84 g/mol
LogP4.48
Rot. Bonds3

About 6-(4-chlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one

6-(4-chlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one (PubChem CID 16718615) has the molecular formula C19H13ClN2O3S and a molecular weight of 384.84 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one
PubChem CID16718615
Molecular FormulaC19H13ClN2O3S
Molecular Weight384.84 g/mol
Exact Mass384.03
IUPAC Name6-(4-chlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)cc1O
InChIInChI=1S/C19H13ClN2O3S/c1-25-16-7-6-13(8-15(16)23)22-10-21-14-9-17(26-18(14)19(22)24)11-2-4-12(20)5-3-11/h2-10,23H,1H3
InChIKeyYCJDEIWIYKAKRE-UHFFFAOYSA-N
XLogP4.48
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(4-chlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one (CID 16718615) is 6-(4-chlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(4-chlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-chlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one is COc1ccc(-n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)cc1O.
What is the InChIKey of 6-(4-chlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is YCJDEIWIYKAKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O3S/c1-25-16-7-6-13(8-15(16)23)22-10-21-14-9-17(26-18(14)19(22)24)11-2-4-12(20)5-3-11/h2-10,23H,1H3.
What are the key properties of 6-(4-chlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one?
6-(4-chlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 384.84 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 16718615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).