6-bromo-4-phenylsulfanylquinolin-3-amine

C15H11BrN2S — CID 43621472

IUPAC6-bromo-4-phenylsulfanylquinolin-3-amine
SMILESNc1cnc2ccc(Br)cc2c1Sc1ccccc1
InChIInChI=1S/C15H11BrN2S/c16-10-6-7-14-12(8-10)15(13(17)9-18-14)19-11-4-2-1-3-5-11/h1-9H,17H2
InChIKeyDSZDBXPPHDMXLA-UHFFFAOYSA-N
MW331.24 g/mol
LogP4.73
Rot. Bonds2

About 6-bromo-4-phenylsulfanylquinolin-3-amine

6-bromo-4-phenylsulfanylquinolin-3-amine (PubChem CID 43621472) has the molecular formula C15H11BrN2S and a molecular weight of 331.24 g/mol. Its IUPAC name is 6-bromo-4-phenylsulfanylquinolin-3-amine.

Molecular Properties

Compound Name6-bromo-4-phenylsulfanylquinolin-3-amine
PubChem CID43621472
Molecular FormulaC15H11BrN2S
Molecular Weight331.24 g/mol
Exact Mass329.98
IUPAC Name6-bromo-4-phenylsulfanylquinolin-3-amine
SMILESNc1cnc2ccc(Br)cc2c1Sc1ccccc1
InChIInChI=1S/C15H11BrN2S/c16-10-6-7-14-12(8-10)15(13(17)9-18-14)19-11-4-2-1-3-5-11/h1-9H,17H2
InChIKeyDSZDBXPPHDMXLA-UHFFFAOYSA-N
XLogP4.73
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-phenylsulfanylquinolin-3-amine?
The IUPAC name of 6-bromo-4-phenylsulfanylquinolin-3-amine (CID 43621472) is 6-bromo-4-phenylsulfanylquinolin-3-amine.
What is the SMILES notation for 6-bromo-4-phenylsulfanylquinolin-3-amine?
The canonical SMILES for 6-bromo-4-phenylsulfanylquinolin-3-amine is Nc1cnc2ccc(Br)cc2c1Sc1ccccc1.
What is the InChIKey of 6-bromo-4-phenylsulfanylquinolin-3-amine?
The InChIKey is DSZDBXPPHDMXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2S/c16-10-6-7-14-12(8-10)15(13(17)9-18-14)19-11-4-2-1-3-5-11/h1-9H,17H2.
What are the key properties of 6-bromo-4-phenylsulfanylquinolin-3-amine?
6-bromo-4-phenylsulfanylquinolin-3-amine has a molecular weight of 331.24 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-phenylsulfanylquinolin-3-amine is sourced from PubChem (CID 43621472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).