3-bromo-8-phenylsulfanylquinolin-5-amine

C15H11BrN2S — CID 106949932

IUPAC3-bromo-8-phenylsulfanylquinolin-5-amine
SMILESNc1ccc(Sc2ccccc2)c2ncc(Br)cc12
InChIInChI=1S/C15H11BrN2S/c16-10-8-12-13(17)6-7-14(15(12)18-9-10)19-11-4-2-1-3-5-11/h1-9H,17H2
InChIKeyKPPHGGOVOFIUFD-UHFFFAOYSA-N
MW331.24 g/mol
LogP4.73
Rot. Bonds2

About 3-bromo-8-phenylsulfanylquinolin-5-amine

3-bromo-8-phenylsulfanylquinolin-5-amine (PubChem CID 106949932) has the molecular formula C15H11BrN2S and a molecular weight of 331.24 g/mol. Its IUPAC name is 3-bromo-8-phenylsulfanylquinolin-5-amine.

Molecular Properties

Compound Name3-bromo-8-phenylsulfanylquinolin-5-amine
PubChem CID106949932
Molecular FormulaC15H11BrN2S
Molecular Weight331.24 g/mol
Exact Mass329.98
IUPAC Name3-bromo-8-phenylsulfanylquinolin-5-amine
SMILESNc1ccc(Sc2ccccc2)c2ncc(Br)cc12
InChIInChI=1S/C15H11BrN2S/c16-10-8-12-13(17)6-7-14(15(12)18-9-10)19-11-4-2-1-3-5-11/h1-9H,17H2
InChIKeyKPPHGGOVOFIUFD-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

3-bromo-8-(2-methylphenyl)sulfanylquinolin-5-amine
CID 106949970
3-bromo-8-pyridin-2-ylsulfanylquinolin-5-amine
CID 106949945
3-bromo-8-[(5-bromo-2-pyridinyl)sulfanyl]quinolin-5-amine
CID 106950003
3-bromo-8-(2,5-dichlorophenyl)sulfanylquinolin-5-amine
CID 106949938
3-bromo-8-(1,3-thiazol-2-ylsulfanyl)quinolin-5-amine
CID 106949975
3-bromo-8-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-5-amine
CID 106949983
3-bromo-8-(1-methyltetrazol-5-yl)sulfanylquinolin-5-amine
CID 106949934
5-bromo-2-phenylsulfanylpyridin-3-amine
CID 61228876
3-bromo-8-N-phenylquinoline-5,8-diamine
CID 106948943
5-bromo-2-chloro-3-phenylsulfanylpyridine
CID 88540747
4-phenylsulfanylnaphthalen-1-amine
CID 21454455
3-bromo-8-[2-(diethylamino)ethylsulfanyl]quinolin-5-amine
CID 106950007

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-phenylsulfanylquinolin-5-amine?
The IUPAC name of 3-bromo-8-phenylsulfanylquinolin-5-amine (CID 106949932) is 3-bromo-8-phenylsulfanylquinolin-5-amine.
What is the SMILES notation for 3-bromo-8-phenylsulfanylquinolin-5-amine?
The canonical SMILES for 3-bromo-8-phenylsulfanylquinolin-5-amine is Nc1ccc(Sc2ccccc2)c2ncc(Br)cc12.
What is the InChIKey of 3-bromo-8-phenylsulfanylquinolin-5-amine?
The InChIKey is KPPHGGOVOFIUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2S/c16-10-8-12-13(17)6-7-14(15(12)18-9-10)19-11-4-2-1-3-5-11/h1-9H,17H2.
What are the key properties of 3-bromo-8-phenylsulfanylquinolin-5-amine?
3-bromo-8-phenylsulfanylquinolin-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 3-bromo-8-phenylsulfanylquinolin-5-amine is sourced from PubChem (CID 106949932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).