N-(1,3-thiazol-2-yl)-8-[[3-(1,3-thiazol-2-ylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-3-carboxamide

C26H16N6O2S4 — CID 126599628

IUPACN-(1,3-thiazol-2-yl)-8-[[3-(1,3-thiazol-2-ylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-3-carboxamide
SMILESO=C(Nc1nccs1)c1cnc2c(SSc3cccc4cc(C(=O)Nc5nccs5)cnc34)cccc2c1
InChIInChI=1S/C26H16N6O2S4/c33-23(31-25-27-7-9-35-25)17-11-15-3-1-5-19(21(15)29-13-17)37-38-20-6-2-4-16-12-18(14-30-22(16)20)24(34)32-26-28-8-10-36-26/h1-14H,(H,27,31,33)(H,28,32,34)
InChIKeyIXVAQLGAEXIKGT-UHFFFAOYSA-N
MW572.72 g/mol
LogP7.00
Rot. Bonds7

About N-(1,3-thiazol-2-yl)-8-[[3-(1,3-thiazol-2-ylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-3-carboxamide

N-(1,3-thiazol-2-yl)-8-[[3-(1,3-thiazol-2-ylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-3-carboxamide (PubChem CID 126599628) has the molecular formula C26H16N6O2S4 and a molecular weight of 572.72 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-8-[[3-(1,3-thiazol-2-ylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-8-[[3-(1,3-thiazol-2-ylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-3-carboxamide
PubChem CID126599628
Molecular FormulaC26H16N6O2S4
Molecular Weight572.72 g/mol
Exact Mass572.02
IUPAC NameN-(1,3-thiazol-2-yl)-8-[[3-(1,3-thiazol-2-ylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-3-carboxamide
SMILESO=C(Nc1nccs1)c1cnc2c(SSc3cccc4cc(C(=O)Nc5nccs5)cnc34)cccc2c1
InChIInChI=1S/C26H16N6O2S4/c33-23(31-25-27-7-9-35-25)17-11-15-3-1-5-19(21(15)29-13-17)37-38-20-6-2-4-16-12-18(14-30-22(16)20)24(34)32-26-28-8-10-36-26/h1-14H,(H,27,31,33)(H,28,32,34)
InChIKeyIXVAQLGAEXIKGT-UHFFFAOYSA-N
XLogP7.00
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.72
LogP ≤ 57.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

Analyze N-(1,3-thiazol-2-yl)-8-[[3-(1,3-thiazol-2-ylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-3-carboxamide 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-(1,3-thiazol-2-yl)-8-[[3-(1,3-thiazol-2-ylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-3-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-8-[[3-(1,3-thiazol-2-ylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-3-carboxamide (CID 126599628) is N-(1,3-thiazol-2-yl)-8-[[3-(1,3-thiazol-2-ylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-3-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-8-[[3-(1,3-thiazol-2-ylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-3-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-8-[[3-(1,3-thiazol-2-ylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-3-carboxamide is O=C(Nc1nccs1)c1cnc2c(SSc3cccc4cc(C(=O)Nc5nccs5)cnc34)cccc2c1.
What is the InChIKey of N-(1,3-thiazol-2-yl)-8-[[3-(1,3-thiazol-2-ylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-3-carboxamide?
The InChIKey is IXVAQLGAEXIKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N6O2S4/c33-23(31-25-27-7-9-35-25)17-11-15-3-1-5-19(21(15)29-13-17)37-38-20-6-2-4-16-12-18(14-30-22(16)20)24(34)32-26-28-8-10-36-26/h1-14H,(H,27,31,33)(H,28,32,34).
What are the key properties of N-(1,3-thiazol-2-yl)-8-[[3-(1,3-thiazol-2-ylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-3-carboxamide?
N-(1,3-thiazol-2-yl)-8-[[3-(1,3-thiazol-2-ylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-3-carboxamide has a molecular weight of 572.72 g/mol, XLogP of 7.00, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-8-[[3-(1,3-thiazol-2-ylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-3-carboxamide is sourced from PubChem (CID 126599628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).