4-benzylsulfanylquinolin-8-amine

C16H14N2S — CID 83060767

IUPAC4-benzylsulfanylquinolin-8-amine
SMILESNc1cccc2c(SCc3ccccc3)ccnc12
InChIInChI=1S/C16H14N2S/c17-14-8-4-7-13-15(9-10-18-16(13)14)19-11-12-5-2-1-3-6-12/h1-10H,11,17H2
InChIKeyLERIJCITJNXBFI-UHFFFAOYSA-N
MW266.37 g/mol
LogP4.11
Rot. Bonds3

About 4-benzylsulfanylquinolin-8-amine

4-benzylsulfanylquinolin-8-amine (PubChem CID 83060767) has the molecular formula C16H14N2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 4-benzylsulfanylquinolin-8-amine.

Molecular Properties

Compound Name4-benzylsulfanylquinolin-8-amine
PubChem CID83060767
Molecular FormulaC16H14N2S
Molecular Weight266.37 g/mol
Exact Mass266.09
IUPAC Name4-benzylsulfanylquinolin-8-amine
SMILESNc1cccc2c(SCc3ccccc3)ccnc12
InChIInChI=1S/C16H14N2S/c17-14-8-4-7-13-15(9-10-18-16(13)14)19-11-12-5-2-1-3-6-12/h1-10H,11,17H2
InChIKeyLERIJCITJNXBFI-UHFFFAOYSA-N
XLogP4.11
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 54.11
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 4-benzylsulfanylquinolin-8-amine?
The IUPAC name of 4-benzylsulfanylquinolin-8-amine (CID 83060767) is 4-benzylsulfanylquinolin-8-amine.
What is the SMILES notation for 4-benzylsulfanylquinolin-8-amine?
The canonical SMILES for 4-benzylsulfanylquinolin-8-amine is Nc1cccc2c(SCc3ccccc3)ccnc12.
What is the InChIKey of 4-benzylsulfanylquinolin-8-amine?
The InChIKey is LERIJCITJNXBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S/c17-14-8-4-7-13-15(9-10-18-16(13)14)19-11-12-5-2-1-3-6-12/h1-10H,11,17H2.
What are the key properties of 4-benzylsulfanylquinolin-8-amine?
4-benzylsulfanylquinolin-8-amine has a molecular weight of 266.37 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfanylquinolin-8-amine is sourced from PubChem (CID 83060767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).