2-[(E)-2-(3-chlorophenyl)ethenyl]-3-(5-phenyl-1,3,4-thiadiazol-2-yl)quinazolin-4-one

C24H15ClN4OS — CID 25111803

IUPAC2-[(E)-2-(3-chlorophenyl)ethenyl]-3-(5-phenyl-1,3,4-thiadiazol-2-yl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(/C=C/c2cccc(Cl)c2)n1-c1nnc(-c2ccccc2)s1
InChIInChI=1S/C24H15ClN4OS/c25-18-10-6-7-16(15-18)13-14-21-26-20-12-5-4-11-19(20)23(30)29(21)24-28-27-22(31-24)17-8-2-1-3-9-17/h1-15H/b14-13+
InChIKeyUFILRSHXDDYPDO-BUHFOSPRSA-N
MW442.93 g/mol
LogP5.73
Rot. Bonds4

About 2-[(E)-2-(3-chlorophenyl)ethenyl]-3-(5-phenyl-1,3,4-thiadiazol-2-yl)quinazolin-4-one

2-[(E)-2-(3-chlorophenyl)ethenyl]-3-(5-phenyl-1,3,4-thiadiazol-2-yl)quinazolin-4-one (PubChem CID 25111803) has the molecular formula C24H15ClN4OS and a molecular weight of 442.93 g/mol. Its IUPAC name is 2-[(E)-2-(3-chlorophenyl)ethenyl]-3-(5-phenyl-1,3,4-thiadiazol-2-yl)quinazolin-4-one.

Molecular Properties

Compound Name2-[(E)-2-(3-chlorophenyl)ethenyl]-3-(5-phenyl-1,3,4-thiadiazol-2-yl)quinazolin-4-one
PubChem CID25111803
Molecular FormulaC24H15ClN4OS
Molecular Weight442.93 g/mol
Exact Mass442.07
IUPAC Name2-[(E)-2-(3-chlorophenyl)ethenyl]-3-(5-phenyl-1,3,4-thiadiazol-2-yl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(/C=C/c2cccc(Cl)c2)n1-c1nnc(-c2ccccc2)s1
InChIInChI=1S/C24H15ClN4OS/c25-18-10-6-7-16(15-18)13-14-21-26-20-12-5-4-11-19(20)23(30)29(21)24-28-27-22(31-24)17-8-2-1-3-9-17/h1-15H/b14-13+
InChIKeyUFILRSHXDDYPDO-BUHFOSPRSA-N
XLogP5.73
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.93
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(E)-2-(3-chlorophenyl)ethenyl]-3-(5-phenyl-1,3,4-thiadiazol-2-yl)quinazolin-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

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3-chlorophenyl)ethenyl]-3-(5-phenyl-1,3,4-thiadiazol-2-yl)quinazolin-4-one?
The IUPAC name of 2-[(E)-2-(3-chlorophenyl)ethenyl]-3-(5-phenyl-1,3,4-thiadiazol-2-yl)quinazolin-4-one (CID 25111803) is 2-[(E)-2-(3-chlorophenyl)ethenyl]-3-(5-phenyl-1,3,4-thiadiazol-2-yl)quinazolin-4-one.
What is the SMILES notation for 2-[(E)-2-(3-chlorophenyl)ethenyl]-3-(5-phenyl-1,3,4-thiadiazol-2-yl)quinazolin-4-one?
The canonical SMILES for 2-[(E)-2-(3-chlorophenyl)ethenyl]-3-(5-phenyl-1,3,4-thiadiazol-2-yl)quinazolin-4-one is O=c1c2ccccc2nc(/C=C/c2cccc(Cl)c2)n1-c1nnc(-c2ccccc2)s1.
What is the InChIKey of 2-[(E)-2-(3-chlorophenyl)ethenyl]-3-(5-phenyl-1,3,4-thiadiazol-2-yl)quinazolin-4-one?
The InChIKey is UFILRSHXDDYPDO-BUHFOSPRSA-N. The full InChI is InChI=1S/C24H15ClN4OS/c25-18-10-6-7-16(15-18)13-14-21-26-20-12-5-4-11-19(20)23(30)29(21)24-28-27-22(31-24)17-8-2-1-3-9-17/h1-15H/b14-13+.
What are the key properties of 2-[(E)-2-(3-chlorophenyl)ethenyl]-3-(5-phenyl-1,3,4-thiadiazol-2-yl)quinazolin-4-one?
2-[(E)-2-(3-chlorophenyl)ethenyl]-3-(5-phenyl-1,3,4-thiadiazol-2-yl)quinazolin-4-one has a molecular weight of 442.93 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3-chlorophenyl)ethenyl]-3-(5-phenyl-1,3,4-thiadiazol-2-yl)quinazolin-4-one is sourced from PubChem (CID 25111803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).