8-bromo-2-chloro-4-phenylquinoline

C15H9BrClN — CID 43322933

IUPAC8-bromo-2-chloro-4-phenylquinoline
SMILESClc1cc(-c2ccccc2)c2cccc(Br)c2n1
InChIInChI=1S/C15H9BrClN/c16-13-8-4-7-11-12(9-14(17)18-15(11)13)10-5-2-1-3-6-10/h1-9H
InChIKeyFYCMAVCRRVGVGF-UHFFFAOYSA-N
MW318.60 g/mol
LogP5.32
Rot. Bonds1

About 8-bromo-2-chloro-4-phenylquinoline

8-bromo-2-chloro-4-phenylquinoline (PubChem CID 43322933) has the molecular formula C15H9BrClN and a molecular weight of 318.60 g/mol. Its IUPAC name is 8-bromo-2-chloro-4-phenylquinoline.

Molecular Properties

Compound Name8-bromo-2-chloro-4-phenylquinoline
PubChem CID43322933
Molecular FormulaC15H9BrClN
Molecular Weight318.60 g/mol
Exact Mass316.96
IUPAC Name8-bromo-2-chloro-4-phenylquinoline
SMILESClc1cc(-c2ccccc2)c2cccc(Br)c2n1
InChIInChI=1S/C15H9BrClN/c16-13-8-4-7-11-12(9-14(17)18-15(11)13)10-5-2-1-3-6-10/h1-9H
InChIKeyFYCMAVCRRVGVGF-UHFFFAOYSA-N
XLogP5.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.60
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-chloro-4-phenylquinoline?
The IUPAC name of 8-bromo-2-chloro-4-phenylquinoline (CID 43322933) is 8-bromo-2-chloro-4-phenylquinoline.
What is the SMILES notation for 8-bromo-2-chloro-4-phenylquinoline?
The canonical SMILES for 8-bromo-2-chloro-4-phenylquinoline is Clc1cc(-c2ccccc2)c2cccc(Br)c2n1.
What is the InChIKey of 8-bromo-2-chloro-4-phenylquinoline?
The InChIKey is FYCMAVCRRVGVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClN/c16-13-8-4-7-11-12(9-14(17)18-15(11)13)10-5-2-1-3-6-10/h1-9H.
What are the key properties of 8-bromo-2-chloro-4-phenylquinoline?
8-bromo-2-chloro-4-phenylquinoline has a molecular weight of 318.60 g/mol, XLogP of 5.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-chloro-4-phenylquinoline is sourced from PubChem (CID 43322933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).