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

C25H21ClN4O3S — CID 90130031

IUPACN-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide
SMILESCc1cc(N2CCCS2(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ncc3ccccc3n2)c1
InChIInChI=1S/C25H21ClN4O3S/c1-16-13-19(30-11-4-12-34(30,32)33)8-9-20(16)25(31)28-18-7-10-22(26)21(14-18)24-27-15-17-5-2-3-6-23(17)29-24/h2-3,5-10,13-15H,4,11-12H2,1H3,(H,28,31)
InChIKeyNHIBTSRBBTWDRV-UHFFFAOYSA-N
MW492.99 g/mol
LogP5.05
Rot. Bonds4

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

N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide (PubChem CID 90130031) has the molecular formula C25H21ClN4O3S and a molecular weight of 492.99 g/mol. Its IUPAC name is N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide
PubChem CID90130031
Molecular FormulaC25H21ClN4O3S
Molecular Weight492.99 g/mol
Exact Mass492.10
IUPAC NameN-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide
SMILESCc1cc(N2CCCS2(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ncc3ccccc3n2)c1
InChIInChI=1S/C25H21ClN4O3S/c1-16-13-19(30-11-4-12-34(30,32)33)8-9-20(16)25(31)28-18-7-10-22(26)21(14-18)24-27-15-17-5-2-3-6-23(17)29-24/h2-3,5-10,13-15H,4,11-12H2,1H3,(H,28,31)
InChIKeyNHIBTSRBBTWDRV-UHFFFAOYSA-N
XLogP5.05
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.99
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide 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 N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide?
The IUPAC name of N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide (CID 90130031) is N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide.
What is the SMILES notation for N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide?
The canonical SMILES for N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide is Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ncc3ccccc3n2)c1.
What is the InChIKey of N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide?
The InChIKey is NHIBTSRBBTWDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O3S/c1-16-13-19(30-11-4-12-34(30,32)33)8-9-20(16)25(31)28-18-7-10-22(26)21(14-18)24-27-15-17-5-2-3-6-23(17)29-24/h2-3,5-10,13-15H,4,11-12H2,1H3,(H,28,31).
What are the key properties of N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide?
N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide has a molecular weight of 492.99 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide is sourced from PubChem (CID 90130031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).