N-(2-thiophen-2-ylethyl)-8-[[3-(2-thiophen-2-ylethylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-3-carboxamide

C32H26N4O2S4 — CID 126599625

IUPACN-(2-thiophen-2-ylethyl)-8-[[3-(2-thiophen-2-ylethylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-3-carboxamide
SMILESO=C(NCCc1cccs1)c1cnc2c(SSc3cccc4cc(C(=O)NCCc5cccs5)cnc34)cccc2c1
InChIInChI=1S/C32H26N4O2S4/c37-31(33-13-11-25-7-3-15-39-25)23-17-21-5-1-9-27(29(21)35-19-23)41-42-28-10-2-6-22-18-24(20-36-30(22)28)32(38)34-14-12-26-8-4-16-40-26/h1-10,15-20H,11-14H2,(H,33,37)(H,34,38)
InChIKeyZXYPACVVZOCLGB-UHFFFAOYSA-N
MW626.85 g/mol
LogP7.65
Rot. Bonds11

About N-(2-thiophen-2-ylethyl)-8-[[3-(2-thiophen-2-ylethylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-3-carboxamide

N-(2-thiophen-2-ylethyl)-8-[[3-(2-thiophen-2-ylethylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-3-carboxamide (PubChem CID 126599625) has the molecular formula C32H26N4O2S4 and a molecular weight of 626.85 g/mol. Its IUPAC name is N-(2-thiophen-2-ylethyl)-8-[[3-(2-thiophen-2-ylethylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-thiophen-2-ylethyl)-8-[[3-(2-thiophen-2-ylethylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-3-carboxamide
PubChem CID126599625
Molecular FormulaC32H26N4O2S4
Molecular Weight626.85 g/mol
Exact Mass626.09
IUPAC NameN-(2-thiophen-2-ylethyl)-8-[[3-(2-thiophen-2-ylethylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-3-carboxamide
SMILESO=C(NCCc1cccs1)c1cnc2c(SSc3cccc4cc(C(=O)NCCc5cccs5)cnc34)cccc2c1
InChIInChI=1S/C32H26N4O2S4/c37-31(33-13-11-25-7-3-15-39-25)23-17-21-5-1-9-27(29(21)35-19-23)41-42-28-10-2-6-22-18-24(20-36-30(22)28)32(38)34-14-12-26-8-4-16-40-26/h1-10,15-20H,11-14H2,(H,33,37)(H,34,38)
InChIKeyZXYPACVVZOCLGB-UHFFFAOYSA-N
XLogP7.65
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.85
LogP ≤ 57.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-(2-thiophen-2-ylethyl)-8-[[3-(2-thiophen-2-ylethylcarbamoyl)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-(2-thiophen-2-ylethyl)-8-[[3-(2-thiophen-2-ylethylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-3-carboxamide?
The IUPAC name of N-(2-thiophen-2-ylethyl)-8-[[3-(2-thiophen-2-ylethylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-3-carboxamide (CID 126599625) is N-(2-thiophen-2-ylethyl)-8-[[3-(2-thiophen-2-ylethylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-3-carboxamide.
What is the SMILES notation for N-(2-thiophen-2-ylethyl)-8-[[3-(2-thiophen-2-ylethylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-3-carboxamide?
The canonical SMILES for N-(2-thiophen-2-ylethyl)-8-[[3-(2-thiophen-2-ylethylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-3-carboxamide is O=C(NCCc1cccs1)c1cnc2c(SSc3cccc4cc(C(=O)NCCc5cccs5)cnc34)cccc2c1.
What is the InChIKey of N-(2-thiophen-2-ylethyl)-8-[[3-(2-thiophen-2-ylethylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-3-carboxamide?
The InChIKey is ZXYPACVVZOCLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N4O2S4/c37-31(33-13-11-25-7-3-15-39-25)23-17-21-5-1-9-27(29(21)35-19-23)41-42-28-10-2-6-22-18-24(20-36-30(22)28)32(38)34-14-12-26-8-4-16-40-26/h1-10,15-20H,11-14H2,(H,33,37)(H,34,38).
What are the key properties of N-(2-thiophen-2-ylethyl)-8-[[3-(2-thiophen-2-ylethylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-3-carboxamide?
N-(2-thiophen-2-ylethyl)-8-[[3-(2-thiophen-2-ylethylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-3-carboxamide has a molecular weight of 626.85 g/mol, XLogP of 7.65, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylethyl)-8-[[3-(2-thiophen-2-ylethylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-3-carboxamide is sourced from PubChem (CID 126599625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).