3-bromo-8-pyridin-2-ylsulfanylquinolin-5-amine

C14H10BrN3S — CID 106949945

IUPAC3-bromo-8-pyridin-2-ylsulfanylquinolin-5-amine
SMILESNc1ccc(Sc2ccccn2)c2ncc(Br)cc12
InChIInChI=1S/C14H10BrN3S/c15-9-7-10-11(16)4-5-12(14(10)18-8-9)19-13-3-1-2-6-17-13/h1-8H,16H2
InChIKeyOZAZBMFJIMCDOV-UHFFFAOYSA-N
MW332.23 g/mol
LogP4.13
Rot. Bonds2

About 3-bromo-8-pyridin-2-ylsulfanylquinolin-5-amine

3-bromo-8-pyridin-2-ylsulfanylquinolin-5-amine (PubChem CID 106949945) has the molecular formula C14H10BrN3S and a molecular weight of 332.23 g/mol. Its IUPAC name is 3-bromo-8-pyridin-2-ylsulfanylquinolin-5-amine.

Molecular Properties

Compound Name3-bromo-8-pyridin-2-ylsulfanylquinolin-5-amine
PubChem CID106949945
Molecular FormulaC14H10BrN3S
Molecular Weight332.23 g/mol
Exact Mass330.98
IUPAC Name3-bromo-8-pyridin-2-ylsulfanylquinolin-5-amine
SMILESNc1ccc(Sc2ccccn2)c2ncc(Br)cc12
InChIInChI=1S/C14H10BrN3S/c15-9-7-10-11(16)4-5-12(14(10)18-8-9)19-13-3-1-2-6-17-13/h1-8H,16H2
InChIKeyOZAZBMFJIMCDOV-UHFFFAOYSA-N
XLogP4.13
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-8-[(5-bromo-2-pyridinyl)sulfanyl]quinolin-5-amine
CID 106950003
3-bromo-8-phenylsulfanylquinolin-5-amine
CID 106949932
3-bromo-8-(2-methylphenyl)sulfanylquinolin-5-amine
CID 106949970
3-bromo-8-(1,3-thiazol-2-ylsulfanyl)quinolin-5-amine
CID 106949975
3-bromo-8-(2,5-dichlorophenyl)sulfanylquinolin-5-amine
CID 106949938
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
3-bromo-8-[2-(diethylamino)ethylsulfanyl]quinolin-5-amine
CID 106950007
3-bromo-8-N-phenylquinoline-5,8-diamine
CID 106948943
3-bromo-8-(2-fluorophenoxy)quinolin-5-amine
CID 106949774
3-bromo-8-(2-methoxyphenoxy)quinolin-5-amine
CID 106949789
3-bromo-8-(2-chlorophenoxy)quinolin-5-amine
CID 106949776

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-pyridin-2-ylsulfanylquinolin-5-amine?
The IUPAC name of 3-bromo-8-pyridin-2-ylsulfanylquinolin-5-amine (CID 106949945) is 3-bromo-8-pyridin-2-ylsulfanylquinolin-5-amine.
What is the SMILES notation for 3-bromo-8-pyridin-2-ylsulfanylquinolin-5-amine?
The canonical SMILES for 3-bromo-8-pyridin-2-ylsulfanylquinolin-5-amine is Nc1ccc(Sc2ccccn2)c2ncc(Br)cc12.
What is the InChIKey of 3-bromo-8-pyridin-2-ylsulfanylquinolin-5-amine?
The InChIKey is OZAZBMFJIMCDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3S/c15-9-7-10-11(16)4-5-12(14(10)18-8-9)19-13-3-1-2-6-17-13/h1-8H,16H2.
What are the key properties of 3-bromo-8-pyridin-2-ylsulfanylquinolin-5-amine?
3-bromo-8-pyridin-2-ylsulfanylquinolin-5-amine has a molecular weight of 332.23 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-pyridin-2-ylsulfanylquinolin-5-amine is sourced from PubChem (CID 106949945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).