3-bromo-8-(2,5-dichlorophenyl)sulfanylquinolin-5-amine

C15H9BrCl2N2S — CID 106949938

IUPAC3-bromo-8-(2,5-dichlorophenyl)sulfanylquinolin-5-amine
SMILESNc1ccc(Sc2cc(Cl)ccc2Cl)c2ncc(Br)cc12
InChIInChI=1S/C15H9BrCl2N2S/c16-8-5-10-12(19)3-4-13(15(10)20-7-8)21-14-6-9(17)1-2-11(14)18/h1-7H,19H2
InChIKeyJXIHTAFXTVBLFF-UHFFFAOYSA-N
MW400.13 g/mol
LogP6.04
Rot. Bonds2

About 3-bromo-8-(2,5-dichlorophenyl)sulfanylquinolin-5-amine

3-bromo-8-(2,5-dichlorophenyl)sulfanylquinolin-5-amine (PubChem CID 106949938) has the molecular formula C15H9BrCl2N2S and a molecular weight of 400.13 g/mol. Its IUPAC name is 3-bromo-8-(2,5-dichlorophenyl)sulfanylquinolin-5-amine.

Molecular Properties

Compound Name3-bromo-8-(2,5-dichlorophenyl)sulfanylquinolin-5-amine
PubChem CID106949938
Molecular FormulaC15H9BrCl2N2S
Molecular Weight400.13 g/mol
Exact Mass397.90
IUPAC Name3-bromo-8-(2,5-dichlorophenyl)sulfanylquinolin-5-amine
SMILESNc1ccc(Sc2cc(Cl)ccc2Cl)c2ncc(Br)cc12
InChIInChI=1S/C15H9BrCl2N2S/c16-8-5-10-12(19)3-4-13(15(10)20-7-8)21-14-6-9(17)1-2-11(14)18/h1-7H,19H2
InChIKeyJXIHTAFXTVBLFF-UHFFFAOYSA-N
XLogP6.04
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.13
LogP ≤ 56.04
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

3-bromo-8-phenylsulfanylquinolin-5-amine
CID 106949932
3-bromo-8-[(5-bromo-2-pyridinyl)sulfanyl]quinolin-5-amine
CID 106950003
3-bromo-8-(2-methylphenyl)sulfanylquinolin-5-amine
CID 106949970
3-bromo-8-pyridin-2-ylsulfanylquinolin-5-amine
CID 106949945
3-bromo-8-(1,3-thiazol-2-ylsulfanyl)quinolin-5-amine
CID 106949975
5-(2,5-dichlorophenyl)sulfanylquinolin-8-amine
CID 43449691
5-chloro-2-(2,5-dichlorophenyl)sulfanylaniline
CID 29298573
3-bromo-8-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-5-amine
CID 106949983
3-bromo-8-N-(5-chloro-2-fluorophenyl)quinoline-5,8-diamine
CID 106949035
3-bromo-8-(1-methyltetrazol-5-yl)sulfanylquinolin-5-amine
CID 106949934
6-(2,5-dichlorophenyl)sulfanyl-4-methylpyridin-3-amine
CID 79176848
3-bromo-5,8-dichloroquinoline
CID 67706572

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-(2,5-dichlorophenyl)sulfanylquinolin-5-amine?
The IUPAC name of 3-bromo-8-(2,5-dichlorophenyl)sulfanylquinolin-5-amine (CID 106949938) is 3-bromo-8-(2,5-dichlorophenyl)sulfanylquinolin-5-amine.
What is the SMILES notation for 3-bromo-8-(2,5-dichlorophenyl)sulfanylquinolin-5-amine?
The canonical SMILES for 3-bromo-8-(2,5-dichlorophenyl)sulfanylquinolin-5-amine is Nc1ccc(Sc2cc(Cl)ccc2Cl)c2ncc(Br)cc12.
What is the InChIKey of 3-bromo-8-(2,5-dichlorophenyl)sulfanylquinolin-5-amine?
The InChIKey is JXIHTAFXTVBLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrCl2N2S/c16-8-5-10-12(19)3-4-13(15(10)20-7-8)21-14-6-9(17)1-2-11(14)18/h1-7H,19H2.
What are the key properties of 3-bromo-8-(2,5-dichlorophenyl)sulfanylquinolin-5-amine?
3-bromo-8-(2,5-dichlorophenyl)sulfanylquinolin-5-amine has a molecular weight of 400.13 g/mol, XLogP of 6.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-(2,5-dichlorophenyl)sulfanylquinolin-5-amine is sourced from PubChem (CID 106949938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).