2-quinolin-2-ylsulfanylquinoline

C18H12N2S — CID 13382414

IUPAC2-quinolin-2-ylsulfanylquinoline
SMILESc1ccc2nc(Sc3ccc4ccccc4n3)ccc2c1
InChIInChI=1S/C18H12N2S/c1-3-7-15-13(5-1)9-11-17(19-15)21-18-12-10-14-6-2-4-8-16(14)20-18/h1-12H
InChIKeyJYPPWLVLISUNTL-UHFFFAOYSA-N
MW288.38 g/mol
LogP4.93
Rot. Bonds2

About 2-quinolin-2-ylsulfanylquinoline

2-quinolin-2-ylsulfanylquinoline (PubChem CID 13382414) has the molecular formula C18H12N2S and a molecular weight of 288.38 g/mol. Its IUPAC name is 2-quinolin-2-ylsulfanylquinoline.

Molecular Properties

Compound Name2-quinolin-2-ylsulfanylquinoline
PubChem CID13382414
Molecular FormulaC18H12N2S
Molecular Weight288.38 g/mol
Exact Mass288.07
IUPAC Name2-quinolin-2-ylsulfanylquinoline
SMILESc1ccc2nc(Sc3ccc4ccccc4n3)ccc2c1
InChIInChI=1S/C18H12N2S/c1-3-7-15-13(5-1)9-11-17(19-15)21-18-12-10-14-6-2-4-8-16(14)20-18/h1-12H
InChIKeyJYPPWLVLISUNTL-UHFFFAOYSA-N
XLogP4.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-quinolin-2-ylsulfanylquinoline 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 2-quinolin-2-ylsulfanylquinoline?
The IUPAC name of 2-quinolin-2-ylsulfanylquinoline (CID 13382414) is 2-quinolin-2-ylsulfanylquinoline.
What is the SMILES notation for 2-quinolin-2-ylsulfanylquinoline?
The canonical SMILES for 2-quinolin-2-ylsulfanylquinoline is c1ccc2nc(Sc3ccc4ccccc4n3)ccc2c1.
What is the InChIKey of 2-quinolin-2-ylsulfanylquinoline?
The InChIKey is JYPPWLVLISUNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2S/c1-3-7-15-13(5-1)9-11-17(19-15)21-18-12-10-14-6-2-4-8-16(14)20-18/h1-12H.
What are the key properties of 2-quinolin-2-ylsulfanylquinoline?
2-quinolin-2-ylsulfanylquinoline has a molecular weight of 288.38 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-2-ylsulfanylquinoline is sourced from PubChem (CID 13382414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).