3-bromo-8-[(5-bromo-2-pyridinyl)sulfanyl]quinolin-5-amine

C14H9Br2N3S — CID 106950003

IUPAC3-bromo-8-[(5-bromo-2-pyridinyl)sulfanyl]quinolin-5-amine
SMILESNc1ccc(Sc2ccc(Br)cn2)c2ncc(Br)cc12
InChIInChI=1S/C14H9Br2N3S/c15-8-1-4-13(18-6-8)20-12-3-2-11(17)10-5-9(16)7-19-14(10)12/h1-7H,17H2
InChIKeyKIYFKQDWTUUKFV-UHFFFAOYSA-N
MW411.12 g/mol
LogP4.89
Rot. Bonds2

About 3-bromo-8-[(5-bromo-2-pyridinyl)sulfanyl]quinolin-5-amine

3-bromo-8-[(5-bromo-2-pyridinyl)sulfanyl]quinolin-5-amine (PubChem CID 106950003) has the molecular formula C14H9Br2N3S and a molecular weight of 411.12 g/mol. Its IUPAC name is 3-bromo-8-[(5-bromo-2-pyridinyl)sulfanyl]quinolin-5-amine.

Molecular Properties

Compound Name3-bromo-8-[(5-bromo-2-pyridinyl)sulfanyl]quinolin-5-amine
PubChem CID106950003
Molecular FormulaC14H9Br2N3S
Molecular Weight411.12 g/mol
Exact Mass408.89
IUPAC Name3-bromo-8-[(5-bromo-2-pyridinyl)sulfanyl]quinolin-5-amine
SMILESNc1ccc(Sc2ccc(Br)cn2)c2ncc(Br)cc12
InChIInChI=1S/C14H9Br2N3S/c15-8-1-4-13(18-6-8)20-12-3-2-11(17)10-5-9(16)7-19-14(10)12/h1-7H,17H2
InChIKeyKIYFKQDWTUUKFV-UHFFFAOYSA-N
XLogP4.89
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.12
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-bromo-8-[(5-bromo-2-pyridinyl)sulfanyl]quinolin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-[(5-bromo-2-pyridinyl)sulfanyl]quinolin-5-amine?
The IUPAC name of 3-bromo-8-[(5-bromo-2-pyridinyl)sulfanyl]quinolin-5-amine (CID 106950003) is 3-bromo-8-[(5-bromo-2-pyridinyl)sulfanyl]quinolin-5-amine.
What is the SMILES notation for 3-bromo-8-[(5-bromo-2-pyridinyl)sulfanyl]quinolin-5-amine?
The canonical SMILES for 3-bromo-8-[(5-bromo-2-pyridinyl)sulfanyl]quinolin-5-amine is Nc1ccc(Sc2ccc(Br)cn2)c2ncc(Br)cc12.
What is the InChIKey of 3-bromo-8-[(5-bromo-2-pyridinyl)sulfanyl]quinolin-5-amine?
The InChIKey is KIYFKQDWTUUKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2N3S/c15-8-1-4-13(18-6-8)20-12-3-2-11(17)10-5-9(16)7-19-14(10)12/h1-7H,17H2.
What are the key properties of 3-bromo-8-[(5-bromo-2-pyridinyl)sulfanyl]quinolin-5-amine?
3-bromo-8-[(5-bromo-2-pyridinyl)sulfanyl]quinolin-5-amine has a molecular weight of 411.12 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-[(5-bromo-2-pyridinyl)sulfanyl]quinolin-5-amine is sourced from PubChem (CID 106950003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).