3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(4-fluorophenyl)pyrrolidine-2,5-dione

C24H15ClFN3O2S — CID 2945604

IUPAC3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(4-fluorophenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(Sc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C24H15ClFN3O2S/c25-15-6-11-19-18(12-15)22(14-4-2-1-3-5-14)28-24(27-19)32-20-13-21(30)29(23(20)31)17-9-7-16(26)8-10-17/h1-12,20H,13H2
InChIKeyVVTBUZQIEWTPNW-UHFFFAOYSA-N
MW463.92 g/mol
LogP5.51
Rot. Bonds4

About 3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(4-fluorophenyl)pyrrolidine-2,5-dione

3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(4-fluorophenyl)pyrrolidine-2,5-dione (PubChem CID 2945604) has the molecular formula C24H15ClFN3O2S and a molecular weight of 463.92 g/mol. Its IUPAC name is 3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(4-fluorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(4-fluorophenyl)pyrrolidine-2,5-dione
PubChem CID2945604
Molecular FormulaC24H15ClFN3O2S
Molecular Weight463.92 g/mol
Exact Mass463.06
IUPAC Name3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(4-fluorophenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(Sc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C24H15ClFN3O2S/c25-15-6-11-19-18(12-15)22(14-4-2-1-3-5-14)28-24(27-19)32-20-13-21(30)29(23(20)31)17-9-7-16(26)8-10-17/h1-12,20H,13H2
InChIKeyVVTBUZQIEWTPNW-UHFFFAOYSA-N
XLogP5.51
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.92
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(4-fluorophenyl)pyrrolidine-2,5-dione 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 3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(4-fluorophenyl)pyrrolidine-2,5-dione (CID 2945604) is 3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(4-fluorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(4-fluorophenyl)pyrrolidine-2,5-dione is O=C1CC(Sc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
The InChIKey is VVTBUZQIEWTPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClFN3O2S/c25-15-6-11-19-18(12-15)22(14-4-2-1-3-5-14)28-24(27-19)32-20-13-21(30)29(23(20)31)17-9-7-16(26)8-10-17/h1-12,20H,13H2.
What are the key properties of 3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(4-fluorophenyl)pyrrolidine-2,5-dione has a molecular weight of 463.92 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(4-fluorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2945604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).