3-chloro-4-quinolin-8-ylsulfanylaniline

C15H11ClN2S — CID 68885824

IUPAC3-chloro-4-quinolin-8-ylsulfanylaniline
SMILESNc1ccc(Sc2cccc3cccnc23)c(Cl)c1
InChIInChI=1S/C15H11ClN2S/c16-12-9-11(17)6-7-13(12)19-14-5-1-3-10-4-2-8-18-15(10)14/h1-9H,17H2
InChIKeyLYZMJWIBGNJNEW-UHFFFAOYSA-N
MW286.79 g/mol
LogP4.62
Rot. Bonds2

About 3-chloro-4-quinolin-8-ylsulfanylaniline

3-chloro-4-quinolin-8-ylsulfanylaniline (PubChem CID 68885824) has the molecular formula C15H11ClN2S and a molecular weight of 286.79 g/mol. Its IUPAC name is 3-chloro-4-quinolin-8-ylsulfanylaniline.

Molecular Properties

Compound Name3-chloro-4-quinolin-8-ylsulfanylaniline
PubChem CID68885824
Molecular FormulaC15H11ClN2S
Molecular Weight286.79 g/mol
Exact Mass286.03
IUPAC Name3-chloro-4-quinolin-8-ylsulfanylaniline
SMILESNc1ccc(Sc2cccc3cccnc23)c(Cl)c1
InChIInChI=1S/C15H11ClN2S/c16-12-9-11(17)6-7-13(12)19-14-5-1-3-10-4-2-8-18-15(10)14/h1-9H,17H2
InChIKeyLYZMJWIBGNJNEW-UHFFFAOYSA-N
XLogP4.62
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.79
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-quinolin-8-ylsulfanylaniline?
The IUPAC name of 3-chloro-4-quinolin-8-ylsulfanylaniline (CID 68885824) is 3-chloro-4-quinolin-8-ylsulfanylaniline.
What is the SMILES notation for 3-chloro-4-quinolin-8-ylsulfanylaniline?
The canonical SMILES for 3-chloro-4-quinolin-8-ylsulfanylaniline is Nc1ccc(Sc2cccc3cccnc23)c(Cl)c1.
What is the InChIKey of 3-chloro-4-quinolin-8-ylsulfanylaniline?
The InChIKey is LYZMJWIBGNJNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2S/c16-12-9-11(17)6-7-13(12)19-14-5-1-3-10-4-2-8-18-15(10)14/h1-9H,17H2.
What are the key properties of 3-chloro-4-quinolin-8-ylsulfanylaniline?
3-chloro-4-quinolin-8-ylsulfanylaniline has a molecular weight of 286.79 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-quinolin-8-ylsulfanylaniline is sourced from PubChem (CID 68885824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).