2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-quinazolin-2-ylphenyl)benzamide

C24H19ClN4O3S — CID 90129776

IUPAC2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-quinazolin-2-ylphenyl)benzamide
SMILESO=C(Nc1cccc(-c2ncc3ccccc3n2)c1)c1ccc(N2CCCS2(=O)=O)cc1Cl
InChIInChI=1S/C24H19ClN4O3S/c25-21-14-19(29-11-4-12-33(29,31)32)9-10-20(21)24(30)27-18-7-3-6-16(13-18)23-26-15-17-5-1-2-8-22(17)28-23/h1-3,5-10,13-15H,4,11-12H2,(H,27,30)
InChIKeyHSMVGEFAWRDHGZ-UHFFFAOYSA-N
MW478.96 g/mol
LogP4.74
Rot. Bonds4

About 2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-quinazolin-2-ylphenyl)benzamide

2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-quinazolin-2-ylphenyl)benzamide (PubChem CID 90129776) has the molecular formula C24H19ClN4O3S and a molecular weight of 478.96 g/mol. Its IUPAC name is 2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-quinazolin-2-ylphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-quinazolin-2-ylphenyl)benzamide
PubChem CID90129776
Molecular FormulaC24H19ClN4O3S
Molecular Weight478.96 g/mol
Exact Mass478.09
IUPAC Name2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-quinazolin-2-ylphenyl)benzamide
SMILESO=C(Nc1cccc(-c2ncc3ccccc3n2)c1)c1ccc(N2CCCS2(=O)=O)cc1Cl
InChIInChI=1S/C24H19ClN4O3S/c25-21-14-19(29-11-4-12-33(29,31)32)9-10-20(21)24(30)27-18-7-3-6-16(13-18)23-26-15-17-5-1-2-8-22(17)28-23/h1-3,5-10,13-15H,4,11-12H2,(H,27,30)
InChIKeyHSMVGEFAWRDHGZ-UHFFFAOYSA-N
XLogP4.74
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.96
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-quinazolin-2-ylphenyl)benzamide 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-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-quinazolin-2-ylphenyl)benzamide?
The IUPAC name of 2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-quinazolin-2-ylphenyl)benzamide (CID 90129776) is 2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-quinazolin-2-ylphenyl)benzamide.
What is the SMILES notation for 2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-quinazolin-2-ylphenyl)benzamide?
The canonical SMILES for 2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-quinazolin-2-ylphenyl)benzamide is O=C(Nc1cccc(-c2ncc3ccccc3n2)c1)c1ccc(N2CCCS2(=O)=O)cc1Cl.
What is the InChIKey of 2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-quinazolin-2-ylphenyl)benzamide?
The InChIKey is HSMVGEFAWRDHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O3S/c25-21-14-19(29-11-4-12-33(29,31)32)9-10-20(21)24(30)27-18-7-3-6-16(13-18)23-26-15-17-5-1-2-8-22(17)28-23/h1-3,5-10,13-15H,4,11-12H2,(H,27,30).
What are the key properties of 2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-quinazolin-2-ylphenyl)benzamide?
2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-quinazolin-2-ylphenyl)benzamide has a molecular weight of 478.96 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-quinazolin-2-ylphenyl)benzamide is sourced from PubChem (CID 90129776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).