8-(3-bromo-5-fluorophenoxy)isoquinolin-5-amine

C15H10BrFN2O — CID 103140084

IUPAC8-(3-bromo-5-fluorophenoxy)isoquinolin-5-amine
SMILESNc1ccc(Oc2cc(F)cc(Br)c2)c2cnccc12
InChIInChI=1S/C15H10BrFN2O/c16-9-5-10(17)7-11(6-9)20-15-2-1-14(18)12-3-4-19-8-13(12)15/h1-8H,18H2
InChIKeyUKMAECCBVKDFSJ-UHFFFAOYSA-N
MW333.16 g/mol
LogP4.51
Rot. Bonds2

About 8-(3-bromo-5-fluorophenoxy)isoquinolin-5-amine

8-(3-bromo-5-fluorophenoxy)isoquinolin-5-amine (PubChem CID 103140084) has the molecular formula C15H10BrFN2O and a molecular weight of 333.16 g/mol. Its IUPAC name is 8-(3-bromo-5-fluorophenoxy)isoquinolin-5-amine.

Molecular Properties

Compound Name8-(3-bromo-5-fluorophenoxy)isoquinolin-5-amine
PubChem CID103140084
Molecular FormulaC15H10BrFN2O
Molecular Weight333.16 g/mol
Exact Mass332.00
IUPAC Name8-(3-bromo-5-fluorophenoxy)isoquinolin-5-amine
SMILESNc1ccc(Oc2cc(F)cc(Br)c2)c2cnccc12
InChIInChI=1S/C15H10BrFN2O/c16-9-5-10(17)7-11(6-9)20-15-2-1-14(18)12-3-4-19-8-13(12)15/h1-8H,18H2
InChIKeyUKMAECCBVKDFSJ-UHFFFAOYSA-N
XLogP4.51
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-(3-bromo-5-fluorophenoxy)isoquinolin-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 8-(3-bromo-5-fluorophenoxy)isoquinolin-5-amine?
The IUPAC name of 8-(3-bromo-5-fluorophenoxy)isoquinolin-5-amine (CID 103140084) is 8-(3-bromo-5-fluorophenoxy)isoquinolin-5-amine.
What is the SMILES notation for 8-(3-bromo-5-fluorophenoxy)isoquinolin-5-amine?
The canonical SMILES for 8-(3-bromo-5-fluorophenoxy)isoquinolin-5-amine is Nc1ccc(Oc2cc(F)cc(Br)c2)c2cnccc12.
What is the InChIKey of 8-(3-bromo-5-fluorophenoxy)isoquinolin-5-amine?
The InChIKey is UKMAECCBVKDFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O/c16-9-5-10(17)7-11(6-9)20-15-2-1-14(18)12-3-4-19-8-13(12)15/h1-8H,18H2.
What are the key properties of 8-(3-bromo-5-fluorophenoxy)isoquinolin-5-amine?
8-(3-bromo-5-fluorophenoxy)isoquinolin-5-amine has a molecular weight of 333.16 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-bromo-5-fluorophenoxy)isoquinolin-5-amine is sourced from PubChem (CID 103140084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).