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

C24H18ClFN4O3S — CID 90130022

IUPACN-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)c(-c2ncc3ccccc3n2)c1)c1ccc(N2CCCS2(=O)=O)cc1F
InChIInChI=1S/C24H18ClFN4O3S/c25-20-9-6-16(12-19(20)23-27-14-15-4-1-2-5-22(15)29-23)28-24(31)18-8-7-17(13-21(18)26)30-10-3-11-34(30,32)33/h1-2,4-9,12-14H,3,10-11H2,(H,28,31)
InChIKeyYBTWYJOMNVTFPG-UHFFFAOYSA-N
MW496.95 g/mol
LogP4.88
Rot. Bonds4

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

N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorobenzamide (PubChem CID 90130022) has the molecular formula C24H18ClFN4O3S and a molecular weight of 496.95 g/mol. Its IUPAC name is N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorobenzamide
PubChem CID90130022
Molecular FormulaC24H18ClFN4O3S
Molecular Weight496.95 g/mol
Exact Mass496.08
IUPAC NameN-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)c(-c2ncc3ccccc3n2)c1)c1ccc(N2CCCS2(=O)=O)cc1F
InChIInChI=1S/C24H18ClFN4O3S/c25-20-9-6-16(12-19(20)23-27-14-15-4-1-2-5-22(15)29-23)28-24(31)18-8-7-17(13-21(18)26)30-10-3-11-34(30,32)33/h1-2,4-9,12-14H,3,10-11H2,(H,28,31)
InChIKeyYBTWYJOMNVTFPG-UHFFFAOYSA-N
XLogP4.88
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.95
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-fluorobenzamide?
The IUPAC name of N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorobenzamide (CID 90130022) is N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorobenzamide.
What is the SMILES notation for N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorobenzamide?
The canonical SMILES for N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorobenzamide is O=C(Nc1ccc(Cl)c(-c2ncc3ccccc3n2)c1)c1ccc(N2CCCS2(=O)=O)cc1F.
What is the InChIKey of N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorobenzamide?
The InChIKey is YBTWYJOMNVTFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN4O3S/c25-20-9-6-16(12-19(20)23-27-14-15-4-1-2-5-22(15)29-23)28-24(31)18-8-7-17(13-21(18)26)30-10-3-11-34(30,32)33/h1-2,4-9,12-14H,3,10-11H2,(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-fluorobenzamide?
N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorobenzamide has a molecular weight of 496.95 g/mol, XLogP of 4.88, 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-fluorobenzamide is sourced from PubChem (CID 90130022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).