3-quinolin-3-ylsulfanylquinoline

C18H12N2S — CID 13382415

IUPAC3-quinolin-3-ylsulfanylquinoline
SMILESc1ccc2ncc(Sc3cnc4ccccc4c3)cc2c1
InChIInChI=1S/C18H12N2S/c1-3-7-17-13(5-1)9-15(11-19-17)21-16-10-14-6-2-4-8-18(14)20-12-16/h1-12H
InChIKeyYRRSGQISXPBRKM-UHFFFAOYSA-N
MW288.38 g/mol
LogP4.93
Rot. Bonds2

About 3-quinolin-3-ylsulfanylquinoline

3-quinolin-3-ylsulfanylquinoline (PubChem CID 13382415) has the molecular formula C18H12N2S and a molecular weight of 288.38 g/mol. Its IUPAC name is 3-quinolin-3-ylsulfanylquinoline.

Molecular Properties

Compound Name3-quinolin-3-ylsulfanylquinoline
PubChem CID13382415
Molecular FormulaC18H12N2S
Molecular Weight288.38 g/mol
Exact Mass288.07
IUPAC Name3-quinolin-3-ylsulfanylquinoline
SMILESc1ccc2ncc(Sc3cnc4ccccc4c3)cc2c1
InChIInChI=1S/C18H12N2S/c1-3-7-17-13(5-1)9-15(11-19-17)21-16-10-14-6-2-4-8-18(14)20-12-16/h1-12H
InChIKeyYRRSGQISXPBRKM-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

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Frequently Asked Questions

What is the IUPAC name of 3-quinolin-3-ylsulfanylquinoline?
The IUPAC name of 3-quinolin-3-ylsulfanylquinoline (CID 13382415) is 3-quinolin-3-ylsulfanylquinoline.
What is the SMILES notation for 3-quinolin-3-ylsulfanylquinoline?
The canonical SMILES for 3-quinolin-3-ylsulfanylquinoline is c1ccc2ncc(Sc3cnc4ccccc4c3)cc2c1.
What is the InChIKey of 3-quinolin-3-ylsulfanylquinoline?
The InChIKey is YRRSGQISXPBRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2S/c1-3-7-17-13(5-1)9-15(11-19-17)21-16-10-14-6-2-4-8-18(14)20-12-16/h1-12H.
What are the key properties of 3-quinolin-3-ylsulfanylquinoline?
3-quinolin-3-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 3-quinolin-3-ylsulfanylquinoline is sourced from PubChem (CID 13382415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).