6-bromo-2,8-dichloro-3-propan-2-ylquinoline

C12H10BrCl2N — CID 63531381

IUPAC6-bromo-2,8-dichloro-3-propan-2-ylquinoline
SMILESCC(C)c1cc2cc(Br)cc(Cl)c2nc1Cl
InChIInChI=1S/C12H10BrCl2N/c1-6(2)9-4-7-3-8(13)5-10(14)11(7)16-12(9)15/h3-6H,1-2H3
InChIKeyZTPAFKCWRVENLJ-UHFFFAOYSA-N
MW319.03 g/mol
LogP5.43
Rot. Bonds1

About 6-bromo-2,8-dichloro-3-propan-2-ylquinoline

6-bromo-2,8-dichloro-3-propan-2-ylquinoline (PubChem CID 63531381) has the molecular formula C12H10BrCl2N and a molecular weight of 319.03 g/mol. Its IUPAC name is 6-bromo-2,8-dichloro-3-propan-2-ylquinoline.

Molecular Properties

Compound Name6-bromo-2,8-dichloro-3-propan-2-ylquinoline
PubChem CID63531381
Molecular FormulaC12H10BrCl2N
Molecular Weight319.03 g/mol
Exact Mass316.94
IUPAC Name6-bromo-2,8-dichloro-3-propan-2-ylquinoline
SMILESCC(C)c1cc2cc(Br)cc(Cl)c2nc1Cl
InChIInChI=1S/C12H10BrCl2N/c1-6(2)9-4-7-3-8(13)5-10(14)11(7)16-12(9)15/h3-6H,1-2H3
InChIKeyZTPAFKCWRVENLJ-UHFFFAOYSA-N
XLogP5.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.03
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-bromo-2,8-dichloro-3-propan-2-ylquinoline 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 6-bromo-2,8-dichloro-3-propan-2-ylquinoline?
The IUPAC name of 6-bromo-2,8-dichloro-3-propan-2-ylquinoline (CID 63531381) is 6-bromo-2,8-dichloro-3-propan-2-ylquinoline.
What is the SMILES notation for 6-bromo-2,8-dichloro-3-propan-2-ylquinoline?
The canonical SMILES for 6-bromo-2,8-dichloro-3-propan-2-ylquinoline is CC(C)c1cc2cc(Br)cc(Cl)c2nc1Cl.
What is the InChIKey of 6-bromo-2,8-dichloro-3-propan-2-ylquinoline?
The InChIKey is ZTPAFKCWRVENLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrCl2N/c1-6(2)9-4-7-3-8(13)5-10(14)11(7)16-12(9)15/h3-6H,1-2H3.
What are the key properties of 6-bromo-2,8-dichloro-3-propan-2-ylquinoline?
6-bromo-2,8-dichloro-3-propan-2-ylquinoline has a molecular weight of 319.03 g/mol, XLogP of 5.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,8-dichloro-3-propan-2-ylquinoline is sourced from PubChem (CID 63531381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).