4-(10-quinolin-4-ylsulfanyldecylsulfanyl)quinoline

C28H32N2S2 — CID 10837686

IUPAC4-(10-quinolin-4-ylsulfanyldecylsulfanyl)quinoline
SMILESc1ccc2c(SCCCCCCCCCCSc3ccnc4ccccc34)ccnc2c1
InChIInChI=1S/C28H32N2S2/c1(3-5-11-21-31-27-17-19-29-25-15-9-7-13-23(25)27)2-4-6-12-22-32-28-18-20-30-26-16-10-8-14-24(26)28/h7-10,13-20H,1-6,11-12,21-22H2
InChIKeyPLDMZRSVGOEYQR-UHFFFAOYSA-N
MW460.71 g/mol
LogP8.79
Rot. Bonds13

About 4-(10-quinolin-4-ylsulfanyldecylsulfanyl)quinoline

4-(10-quinolin-4-ylsulfanyldecylsulfanyl)quinoline (PubChem CID 10837686) has the molecular formula C28H32N2S2 and a molecular weight of 460.71 g/mol. Its IUPAC name is 4-(10-quinolin-4-ylsulfanyldecylsulfanyl)quinoline.

Molecular Properties

Compound Name4-(10-quinolin-4-ylsulfanyldecylsulfanyl)quinoline
PubChem CID10837686
Molecular FormulaC28H32N2S2
Molecular Weight460.71 g/mol
Exact Mass460.20
IUPAC Name4-(10-quinolin-4-ylsulfanyldecylsulfanyl)quinoline
SMILESc1ccc2c(SCCCCCCCCCCSc3ccnc4ccccc34)ccnc2c1
InChIInChI=1S/C28H32N2S2/c1(3-5-11-21-31-27-17-19-29-25-15-9-7-13-23(25)27)2-4-6-12-22-32-28-18-20-30-26-16-10-8-14-24(26)28/h7-10,13-20H,1-6,11-12,21-22H2
InChIKeyPLDMZRSVGOEYQR-UHFFFAOYSA-N
XLogP8.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.71
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(10-quinolin-4-ylsulfanyldecylsulfanyl)quinoline?
The IUPAC name of 4-(10-quinolin-4-ylsulfanyldecylsulfanyl)quinoline (CID 10837686) is 4-(10-quinolin-4-ylsulfanyldecylsulfanyl)quinoline.
What is the SMILES notation for 4-(10-quinolin-4-ylsulfanyldecylsulfanyl)quinoline?
The canonical SMILES for 4-(10-quinolin-4-ylsulfanyldecylsulfanyl)quinoline is c1ccc2c(SCCCCCCCCCCSc3ccnc4ccccc34)ccnc2c1.
What is the InChIKey of 4-(10-quinolin-4-ylsulfanyldecylsulfanyl)quinoline?
The InChIKey is PLDMZRSVGOEYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2S2/c1(3-5-11-21-31-27-17-19-29-25-15-9-7-13-23(25)27)2-4-6-12-22-32-28-18-20-30-26-16-10-8-14-24(26)28/h7-10,13-20H,1-6,11-12,21-22H2.
What are the key properties of 4-(10-quinolin-4-ylsulfanyldecylsulfanyl)quinoline?
4-(10-quinolin-4-ylsulfanyldecylsulfanyl)quinoline has a molecular weight of 460.71 g/mol, XLogP of 8.79, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-quinolin-4-ylsulfanyldecylsulfanyl)quinoline is sourced from PubChem (CID 10837686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).