7-methyl-8-[(7-methylquinolin-8-yl)disulfanyl]quinoline

C20H16N2S2 — CID 90112553

IUPAC7-methyl-8-[(7-methylquinolin-8-yl)disulfanyl]quinoline
SMILESCc1ccc2cccnc2c1SSc1c(C)ccc2cccnc12
InChIInChI=1S/C20H16N2S2/c1-13-7-9-15-5-3-11-21-17(15)19(13)23-24-20-14(2)8-10-16-6-4-12-22-18(16)20/h3-12H,1-2H3
InChIKeyDENSXNKZIMHTBF-UHFFFAOYSA-N
MW348.50 g/mol
LogP6.20
Rot. Bonds3

About 7-methyl-8-[(7-methylquinolin-8-yl)disulfanyl]quinoline

7-methyl-8-[(7-methylquinolin-8-yl)disulfanyl]quinoline (PubChem CID 90112553) has the molecular formula C20H16N2S2 and a molecular weight of 348.50 g/mol. Its IUPAC name is 7-methyl-8-[(7-methylquinolin-8-yl)disulfanyl]quinoline.

Molecular Properties

Compound Name7-methyl-8-[(7-methylquinolin-8-yl)disulfanyl]quinoline
PubChem CID90112553
Molecular FormulaC20H16N2S2
Molecular Weight348.50 g/mol
Exact Mass348.08
IUPAC Name7-methyl-8-[(7-methylquinolin-8-yl)disulfanyl]quinoline
SMILESCc1ccc2cccnc2c1SSc1c(C)ccc2cccnc12
InChIInChI=1S/C20H16N2S2/c1-13-7-9-15-5-3-11-21-17(15)19(13)23-24-20-14(2)8-10-16-6-4-12-22-18(16)20/h3-12H,1-2H3
InChIKeyDENSXNKZIMHTBF-UHFFFAOYSA-N
XLogP6.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.50
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-methyl-8-[(7-methylquinolin-8-yl)disulfanyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,8-dimethylquinoline;ethane
CID 91494918
7-methyl-8-propan-2-ylquinoline
CID 142451043
7-methyl-8-nitrosoquinoline
CID 88866337
CID 58385596
CID 58385596
1,10-phenanthroline;samarium
CID 174616745
osmium;tris(1,10-phenanthroline)
CID 14251798
iridium(3+);1,10-phenanthroline
CID 175702049
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
8-(chloromethyl)-7-methylquinoline
CID 165444274
diiodo(dimethyl)stannane;1,10-phenanthroline
CID 4611650

Frequently Asked Questions

What is the IUPAC name of 7-methyl-8-[(7-methylquinolin-8-yl)disulfanyl]quinoline?
The IUPAC name of 7-methyl-8-[(7-methylquinolin-8-yl)disulfanyl]quinoline (CID 90112553) is 7-methyl-8-[(7-methylquinolin-8-yl)disulfanyl]quinoline.
What is the SMILES notation for 7-methyl-8-[(7-methylquinolin-8-yl)disulfanyl]quinoline?
The canonical SMILES for 7-methyl-8-[(7-methylquinolin-8-yl)disulfanyl]quinoline is Cc1ccc2cccnc2c1SSc1c(C)ccc2cccnc12.
What is the InChIKey of 7-methyl-8-[(7-methylquinolin-8-yl)disulfanyl]quinoline?
The InChIKey is DENSXNKZIMHTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2S2/c1-13-7-9-15-5-3-11-21-17(15)19(13)23-24-20-14(2)8-10-16-6-4-12-22-18(16)20/h3-12H,1-2H3.
What are the key properties of 7-methyl-8-[(7-methylquinolin-8-yl)disulfanyl]quinoline?
7-methyl-8-[(7-methylquinolin-8-yl)disulfanyl]quinoline has a molecular weight of 348.50 g/mol, XLogP of 6.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-8-[(7-methylquinolin-8-yl)disulfanyl]quinoline is sourced from PubChem (CID 90112553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).