4-(2-methylquinolin-4-yl)sulfanylaniline

C16H14N2S — CID 20971546

IUPAC4-(2-methylquinolin-4-yl)sulfanylaniline
SMILESCc1cc(Sc2ccc(N)cc2)c2ccccc2n1
InChIInChI=1S/C16H14N2S/c1-11-10-16(14-4-2-3-5-15(14)18-11)19-13-8-6-12(17)7-9-13/h2-10H,17H2,1H3
InChIKeyQLCQYWLZNXAWGX-UHFFFAOYSA-N
MW266.37 g/mol
LogP4.28
Rot. Bonds2

About 4-(2-methylquinolin-4-yl)sulfanylaniline

4-(2-methylquinolin-4-yl)sulfanylaniline (PubChem CID 20971546) has the molecular formula C16H14N2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 4-(2-methylquinolin-4-yl)sulfanylaniline.

Molecular Properties

Compound Name4-(2-methylquinolin-4-yl)sulfanylaniline
PubChem CID20971546
Molecular FormulaC16H14N2S
Molecular Weight266.37 g/mol
Exact Mass266.09
IUPAC Name4-(2-methylquinolin-4-yl)sulfanylaniline
SMILESCc1cc(Sc2ccc(N)cc2)c2ccccc2n1
InChIInChI=1S/C16H14N2S/c1-11-10-16(14-4-2-3-5-15(14)18-11)19-13-8-6-12(17)7-9-13/h2-10H,17H2,1H3
InChIKeyQLCQYWLZNXAWGX-UHFFFAOYSA-N
XLogP4.28
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 54.28
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-(2-methylquinolin-4-yl)sulfanylaniline?
The IUPAC name of 4-(2-methylquinolin-4-yl)sulfanylaniline (CID 20971546) is 4-(2-methylquinolin-4-yl)sulfanylaniline.
What is the SMILES notation for 4-(2-methylquinolin-4-yl)sulfanylaniline?
The canonical SMILES for 4-(2-methylquinolin-4-yl)sulfanylaniline is Cc1cc(Sc2ccc(N)cc2)c2ccccc2n1.
What is the InChIKey of 4-(2-methylquinolin-4-yl)sulfanylaniline?
The InChIKey is QLCQYWLZNXAWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S/c1-11-10-16(14-4-2-3-5-15(14)18-11)19-13-8-6-12(17)7-9-13/h2-10H,17H2,1H3.
What are the key properties of 4-(2-methylquinolin-4-yl)sulfanylaniline?
4-(2-methylquinolin-4-yl)sulfanylaniline has a molecular weight of 266.37 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylquinolin-4-yl)sulfanylaniline is sourced from PubChem (CID 20971546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).