5-bromo-1-(2-bromo-4-fluorophenoxy)isoquinoline

C15H8Br2FNO — CID 106536941

IUPAC5-bromo-1-(2-bromo-4-fluorophenoxy)isoquinoline
SMILESFc1ccc(Oc2nccc3c(Br)cccc23)c(Br)c1
InChIInChI=1S/C15H8Br2FNO/c16-12-3-1-2-11-10(12)6-7-19-15(11)20-14-5-4-9(18)8-13(14)17/h1-8H
InChIKeyLBLVAFRXGRTQIF-UHFFFAOYSA-N
MW397.04 g/mol
LogP5.69
Rot. Bonds2

About 5-bromo-1-(2-bromo-4-fluorophenoxy)isoquinoline

5-bromo-1-(2-bromo-4-fluorophenoxy)isoquinoline (PubChem CID 106536941) has the molecular formula C15H8Br2FNO and a molecular weight of 397.04 g/mol. Its IUPAC name is 5-bromo-1-(2-bromo-4-fluorophenoxy)isoquinoline.

Molecular Properties

Compound Name5-bromo-1-(2-bromo-4-fluorophenoxy)isoquinoline
PubChem CID106536941
Molecular FormulaC15H8Br2FNO
Molecular Weight397.04 g/mol
Exact Mass394.90
IUPAC Name5-bromo-1-(2-bromo-4-fluorophenoxy)isoquinoline
SMILESFc1ccc(Oc2nccc3c(Br)cccc23)c(Br)c1
InChIInChI=1S/C15H8Br2FNO/c16-12-3-1-2-11-10(12)6-7-19-15(11)20-14-5-4-9(18)8-13(14)17/h1-8H
InChIKeyLBLVAFRXGRTQIF-UHFFFAOYSA-N
XLogP5.69
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.04
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-1-(2-bromo-4-fluorophenoxy)isoquinoline with MolForge

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

Launch Full Analysis

Related Compounds

5-bromo-1-(5-bromo-2-fluorophenoxy)isoquinoline
CID 106537014
5-bromo-1-(3-bromo-5-fluorophenoxy)isoquinoline
CID 106536992
2-(5-bromoisoquinolin-1-yl)oxy-4,5-dichloroaniline
CID 107501100
[2-(5-bromoisoquinolin-1-yl)oxy-6-chlorophenyl]methanamine
CID 106541842
3-(2-bromo-4-fluorophenoxy)-1H-pyrazin-2-one
CID 114570730
2-(5-bromoisoquinolin-1-yl)oxy-3-methylaniline
CID 106540174
4-(2-bromo-4-fluorophenoxy)-2-methylpyrimidine
CID 62785834
methyl 2-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate
CID 60722701
3-(2-bromo-4-fluorophenoxy)pyrazine-2-carboxamide
CID 55103097
N-[[2-(2-bromo-4-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62297430
1-[4-(5-bromoisoquinolin-1-yl)oxyphenyl]-N-methylmethanamine
CID 106541292
4-(5-bromoisoquinolin-1-yl)oxybenzoic acid
CID 106541777

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2-bromo-4-fluorophenoxy)isoquinoline?
The IUPAC name of 5-bromo-1-(2-bromo-4-fluorophenoxy)isoquinoline (CID 106536941) is 5-bromo-1-(2-bromo-4-fluorophenoxy)isoquinoline.
What is the SMILES notation for 5-bromo-1-(2-bromo-4-fluorophenoxy)isoquinoline?
The canonical SMILES for 5-bromo-1-(2-bromo-4-fluorophenoxy)isoquinoline is Fc1ccc(Oc2nccc3c(Br)cccc23)c(Br)c1.
What is the InChIKey of 5-bromo-1-(2-bromo-4-fluorophenoxy)isoquinoline?
The InChIKey is LBLVAFRXGRTQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Br2FNO/c16-12-3-1-2-11-10(12)6-7-19-15(11)20-14-5-4-9(18)8-13(14)17/h1-8H.
What are the key properties of 5-bromo-1-(2-bromo-4-fluorophenoxy)isoquinoline?
5-bromo-1-(2-bromo-4-fluorophenoxy)isoquinoline has a molecular weight of 397.04 g/mol, XLogP of 5.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2-bromo-4-fluorophenoxy)isoquinoline is sourced from PubChem (CID 106536941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).