3-(4-chlorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one

C18H11ClN2OS — CID 78324871

IUPAC3-(4-chlorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2scc(-c3ccccc3)c2ncn1-c1ccc(Cl)cc1
InChIInChI=1S/C18H11ClN2OS/c19-13-6-8-14(9-7-13)21-11-20-16-15(10-23-17(16)18(21)22)12-4-2-1-3-5-12/h1-11H
InChIKeyOHYMOQNKNZPCGJ-UHFFFAOYSA-N
MW338.82 g/mol
LogP4.77
Rot. Bonds2

About 3-(4-chlorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one

3-(4-chlorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one (PubChem CID 78324871) has the molecular formula C18H11ClN2OS and a molecular weight of 338.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one
PubChem CID78324871
Molecular FormulaC18H11ClN2OS
Molecular Weight338.82 g/mol
Exact Mass338.03
IUPAC Name3-(4-chlorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2scc(-c3ccccc3)c2ncn1-c1ccc(Cl)cc1
InChIInChI=1S/C18H11ClN2OS/c19-13-6-8-14(9-7-13)21-11-20-16-15(10-23-17(16)18(21)22)12-4-2-1-3-5-12/h1-11H
InChIKeyOHYMOQNKNZPCGJ-UHFFFAOYSA-N
XLogP4.77
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(4-chlorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one (CID 78324871) is 3-(4-chlorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one is O=c1c2scc(-c3ccccc3)c2ncn1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is OHYMOQNKNZPCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2OS/c19-13-6-8-14(9-7-13)21-11-20-16-15(10-23-17(16)18(21)22)12-4-2-1-3-5-12/h1-11H.
What are the key properties of 3-(4-chlorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one?
3-(4-chlorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 338.82 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 78324871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).