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

C24H18Cl2N4O2S — CID 144621410

IUPAC2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1ccc(Cl)c(-c2ncc3ccccc3n2)c1)c1ccc(N2CCCS2=O)cc1Cl
InChIInChI=1S/C24H18Cl2N4O2S/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)30-10-3-11-33(30)32/h1-2,4-9,12-14H,3,10-11H2,(H,28,31)
InChIKeyXNAZAGZDFNMXJA-UHFFFAOYSA-N
MW497.41 g/mol
LogP5.73
Rot. Bonds4

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

2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 144621410) has the molecular formula C24H18Cl2N4O2S and a molecular weight of 497.41 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID144621410
Molecular FormulaC24H18Cl2N4O2S
Molecular Weight497.41 g/mol
Exact Mass496.05
IUPAC Name2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1ccc(Cl)c(-c2ncc3ccccc3n2)c1)c1ccc(N2CCCS2=O)cc1Cl
InChIInChI=1S/C24H18Cl2N4O2S/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)30-10-3-11-33(30)32/h1-2,4-9,12-14H,3,10-11H2,(H,28,31)
InChIKeyXNAZAGZDFNMXJA-UHFFFAOYSA-N
XLogP5.73
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.41
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(1-oxothiazinan-2-yl)benzamide
CID 144620837
N-(4-chloro-3-quinazolin-2-ylphenyl)-2-methyl-4-(thiazinan-2-yl)benzamide
CID 144621279
2-chloro-4-(1,1-dioxothiazepan-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzamide
CID 118463035
N-[2-chloro-5-[[2-chloro-4-(1-oxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]pyridine-3-carboxamide
CID 144621222
N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide
CID 90130071
N-(4-chloro-3-quinazolin-2-ylphenyl)-2-fluoro-4-(thiazepan-2-yl)benzamide;ethane;pentane
CID 144621532
N-(3-benzamido-4-chlorophenyl)-2-fluoro-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide
CID 144621473
N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1-oxothiazinan-2-yl)benzamide
CID 144621872
N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide
CID 144621769
N-[4-chloro-3-(4-fluoro-2-pyridinyl)phenyl]-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide;chloromethane;ethene;methanamine
CID 144621315
2-chloro-N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]benzamide
CID 90023188
3-chlorobenzaldehyde;2-chloro-N-[4-methyl-3-(methylamino)phenyl]-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide;ethane
CID 144621152

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of 2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide (CID 144621410) is 2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for 2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide is O=C(Nc1ccc(Cl)c(-c2ncc3ccccc3n2)c1)c1ccc(N2CCCS2=O)cc1Cl.
What is the InChIKey of 2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is XNAZAGZDFNMXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N4O2S/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)30-10-3-11-33(30)32/h1-2,4-9,12-14H,3,10-11H2,(H,28,31).
What are the key properties of 2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide?
2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 497.41 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 144621410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).