2-(3-chlorophenyl)sulfanylquinolin-6-amine

C15H11ClN2S — CID 63537054

IUPAC2-(3-chlorophenyl)sulfanylquinolin-6-amine
SMILESNc1ccc2nc(Sc3cccc(Cl)c3)ccc2c1
InChIInChI=1S/C15H11ClN2S/c16-11-2-1-3-13(9-11)19-15-7-4-10-8-12(17)5-6-14(10)18-15/h1-9H,17H2
InChIKeyFCMQBAMOAKIRAM-UHFFFAOYSA-N
MW286.79 g/mol
LogP4.62
Rot. Bonds2

About 2-(3-chlorophenyl)sulfanylquinolin-6-amine

2-(3-chlorophenyl)sulfanylquinolin-6-amine (PubChem CID 63537054) has the molecular formula C15H11ClN2S and a molecular weight of 286.79 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfanylquinolin-6-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfanylquinolin-6-amine
PubChem CID63537054
Molecular FormulaC15H11ClN2S
Molecular Weight286.79 g/mol
Exact Mass286.03
IUPAC Name2-(3-chlorophenyl)sulfanylquinolin-6-amine
SMILESNc1ccc2nc(Sc3cccc(Cl)c3)ccc2c1
InChIInChI=1S/C15H11ClN2S/c16-11-2-1-3-13(9-11)19-15-7-4-10-8-12(17)5-6-14(10)18-15/h1-9H,17H2
InChIKeyFCMQBAMOAKIRAM-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 2-(3-chlorophenyl)sulfanylquinolin-6-amine?
The IUPAC name of 2-(3-chlorophenyl)sulfanylquinolin-6-amine (CID 63537054) is 2-(3-chlorophenyl)sulfanylquinolin-6-amine.
What is the SMILES notation for 2-(3-chlorophenyl)sulfanylquinolin-6-amine?
The canonical SMILES for 2-(3-chlorophenyl)sulfanylquinolin-6-amine is Nc1ccc2nc(Sc3cccc(Cl)c3)ccc2c1.
What is the InChIKey of 2-(3-chlorophenyl)sulfanylquinolin-6-amine?
The InChIKey is FCMQBAMOAKIRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2S/c16-11-2-1-3-13(9-11)19-15-7-4-10-8-12(17)5-6-14(10)18-15/h1-9H,17H2.
What are the key properties of 2-(3-chlorophenyl)sulfanylquinolin-6-amine?
2-(3-chlorophenyl)sulfanylquinolin-6-amine 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 2-(3-chlorophenyl)sulfanylquinolin-6-amine is sourced from PubChem (CID 63537054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).