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

C18H11ClN2OS — CID 78324869

IUPAC3-(2-chlorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2scc(-c3ccccc3)c2ncn1-c1ccccc1Cl
InChIInChI=1S/C18H11ClN2OS/c19-14-8-4-5-9-15(14)21-11-20-16-13(10-23-17(16)18(21)22)12-6-2-1-3-7-12/h1-11H
InChIKeyPEJVTOPJOXSAEC-UHFFFAOYSA-N
MW338.82 g/mol
LogP4.77
Rot. Bonds2

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

3-(2-chlorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one (PubChem CID 78324869) has the molecular formula C18H11ClN2OS and a molecular weight of 338.82 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one
PubChem CID78324869
Molecular FormulaC18H11ClN2OS
Molecular Weight338.82 g/mol
Exact Mass338.03
IUPAC Name3-(2-chlorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2scc(-c3ccccc3)c2ncn1-c1ccccc1Cl
InChIInChI=1S/C18H11ClN2OS/c19-14-8-4-5-9-15(14)21-11-20-16-13(10-23-17(16)18(21)22)12-6-2-1-3-7-12/h1-11H
InChIKeyPEJVTOPJOXSAEC-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-chlorophenyl)-3-[6-(1-pyrrolidinylmethyl)-7,8-dihydro-2-naphthalenyl]thieno[3,2-d]pyrimidin-4(3H)-one
CID 11994412
6-(4-chlorophenyl)-3-[6-(1-piperidinylmethyl)-7,8-dihydro-2-naphthalenyl]thieno[3,2-d]pyrimidin-4(3H)-one
CID 11994912
N-methyl-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide
CID 2102984
6-(4-Chlorophenyl)-3-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]thieno[3,2-d]pyrimidin-4-one
CID 11994413
7-Phenyl-3-(o-tolyl)thieno[3,2-d]pyrimidin-4(3H)-one
CID 78320479
7-Phenyl-3-(P-tolyl)thieno[3,2-D]pyrimidin-4(3H)-one
CID 78320481
7-Phenyl-3-(3-vinylphenyl)thieno[3,2-D]pyrimidin-4(3H)-one
CID 78320802
7-Phenyl-3-(4-vinylphenyl)thieno[3,2-d]pyrimidin-4(3H)-one
CID 78320803
3,7-Diphenylthieno[3,2-d]pyrimidin-4(3H)-one
CID 78324865
3-(2-Fluorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4(3H)-one
CID 78324866
3-(3-Fluorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4(3H)-one
CID 78324867
3-(4-Fluorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4(3H)-one
CID 78324868

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(2-chlorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one (CID 78324869) is 3-(2-chlorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2-chlorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(2-chlorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one is O=c1c2scc(-c3ccccc3)c2ncn1-c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is PEJVTOPJOXSAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2OS/c19-14-8-4-5-9-15(14)21-11-20-16-13(10-23-17(16)18(21)22)12-6-2-1-3-7-12/h1-11H.
What are the key properties of 3-(2-chlorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one?
3-(2-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-(2-chlorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 78324869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).