6-(2-bromophenyl)sulfanylquinolin-5-amine

C15H11BrN2S — CID 43809931

IUPAC6-(2-bromophenyl)sulfanylquinolin-5-amine
SMILESNc1c(Sc2ccccc2Br)ccc2ncccc12
InChIInChI=1S/C15H11BrN2S/c16-11-5-1-2-6-13(11)19-14-8-7-12-10(15(14)17)4-3-9-18-12/h1-9H,17H2
InChIKeyDFGJYSMSHYHKGV-UHFFFAOYSA-N
MW331.24 g/mol
LogP4.73
Rot. Bonds2

About 6-(2-bromophenyl)sulfanylquinolin-5-amine

6-(2-bromophenyl)sulfanylquinolin-5-amine (PubChem CID 43809931) has the molecular formula C15H11BrN2S and a molecular weight of 331.24 g/mol. Its IUPAC name is 6-(2-bromophenyl)sulfanylquinolin-5-amine.

Molecular Properties

Compound Name6-(2-bromophenyl)sulfanylquinolin-5-amine
PubChem CID43809931
Molecular FormulaC15H11BrN2S
Molecular Weight331.24 g/mol
Exact Mass329.98
IUPAC Name6-(2-bromophenyl)sulfanylquinolin-5-amine
SMILESNc1c(Sc2ccccc2Br)ccc2ncccc12
InChIInChI=1S/C15H11BrN2S/c16-11-5-1-2-6-13(11)19-14-8-7-12-10(15(14)17)4-3-9-18-12/h1-9H,17H2
InChIKeyDFGJYSMSHYHKGV-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

Computed Properties (RDKit)

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

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Related Compounds

6-(1H-imidazol-2-ylsulfanyl)quinolin-5-amine
CID 107779336
6-pyrazin-2-ylsulfanylquinolin-5-amine
CID 63380932
6-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-5-amine
CID 43809899
4-(2-bromophenyl)sulfanylquinolin-7-amine
CID 103002516
6-(2-methylpropylsulfanyl)quinolin-5-amine
CID 43809927
6-N-(2,6-dibromophenyl)quinoline-5,6-diamine
CID 107596522
3-(5-aminoquinolin-6-yl)sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 62898059
2-(2-bromophenyl)sulfanyl-1-quinolin-5-ylethanamine
CID 81229156
6-phenylmethoxyquinolin-5-amine
CID 43809775
(5-aminoquinolin-6-yl) hydrogen carbonate
CID 70482347
6-N-(2-bromo-6-fluorophenyl)quinoline-5,6-diamine
CID 107596683
5-bromoquinoline;ethane
CID 142484600

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromophenyl)sulfanylquinolin-5-amine?
The IUPAC name of 6-(2-bromophenyl)sulfanylquinolin-5-amine (CID 43809931) is 6-(2-bromophenyl)sulfanylquinolin-5-amine.
What is the SMILES notation for 6-(2-bromophenyl)sulfanylquinolin-5-amine?
The canonical SMILES for 6-(2-bromophenyl)sulfanylquinolin-5-amine is Nc1c(Sc2ccccc2Br)ccc2ncccc12.
What is the InChIKey of 6-(2-bromophenyl)sulfanylquinolin-5-amine?
The InChIKey is DFGJYSMSHYHKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2S/c16-11-5-1-2-6-13(11)19-14-8-7-12-10(15(14)17)4-3-9-18-12/h1-9H,17H2.
What are the key properties of 6-(2-bromophenyl)sulfanylquinolin-5-amine?
6-(2-bromophenyl)sulfanylquinolin-5-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-(2-bromophenyl)sulfanylquinolin-5-amine is sourced from PubChem (CID 43809931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).