3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide

C19H19N3O4S — CID 55612620

IUPAC3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
SMILESO=C1CCc2cc(NC(=O)c3cccc(N4CCCS4(=O)=O)c3)ccc2N1
InChIInChI=1S/C19H19N3O4S/c23-18-8-5-13-11-15(6-7-17(13)21-18)20-19(24)14-3-1-4-16(12-14)22-9-2-10-27(22,25)26/h1,3-4,6-7,11-12H,2,5,8-10H2,(H,20,24)(H,21,23)
InChIKeyPBUURARMKRXVPZ-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.36
Rot. Bonds3

About 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide (PubChem CID 55612620) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide.

Molecular Properties

Compound Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
PubChem CID55612620
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
SMILESO=C1CCc2cc(NC(=O)c3cccc(N4CCCS4(=O)=O)c3)ccc2N1
InChIInChI=1S/C19H19N3O4S/c23-18-8-5-13-11-15(6-7-17(13)21-18)20-19(24)14-3-1-4-16(12-14)22-9-2-10-27(22,25)26/h1,3-4,6-7,11-12H,2,5,8-10H2,(H,20,24)(H,21,23)
InChIKeyPBUURARMKRXVPZ-UHFFFAOYSA-N
XLogP2.36
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)benzamide
CID 7686047
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 18138639
N-(3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 24592557
3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide
CID 7686078
N-(4-cyanophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 18289205
N-(3,4-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7686052
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 51309956
N-(4-amino-3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 41492455
4-fluoro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 18571284
3-chloro-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide
CID 112505513
3-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzamide
CID 92734125
4-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 43696909

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide?
The IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide (CID 55612620) is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide.
What is the SMILES notation for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide?
The canonical SMILES for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide is O=C1CCc2cc(NC(=O)c3cccc(N4CCCS4(=O)=O)c3)ccc2N1.
What is the InChIKey of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide?
The InChIKey is PBUURARMKRXVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c23-18-8-5-13-11-15(6-7-17(13)21-18)20-19(24)14-3-1-4-16(12-14)22-9-2-10-27(22,25)26/h1,3-4,6-7,11-12H,2,5,8-10H2,(H,20,24)(H,21,23).
What are the key properties of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide?
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide has a molecular weight of 385.45 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide is sourced from PubChem (CID 55612620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).