4-(4-bromo-2-propan-2-ylphenoxy)cinnoline

C17H15BrN2O — CID 115402133

IUPAC4-(4-bromo-2-propan-2-ylphenoxy)cinnoline
SMILESCC(C)c1cc(Br)ccc1Oc1cnnc2ccccc12
InChIInChI=1S/C17H15BrN2O/c1-11(2)14-9-12(18)7-8-16(14)21-17-10-19-20-15-6-4-3-5-13(15)17/h3-11H,1-2H3
InChIKeyLCQUSNUWJMGNGM-UHFFFAOYSA-N
MW343.22 g/mol
LogP5.31
Rot. Bonds3

About 4-(4-bromo-2-propan-2-ylphenoxy)cinnoline

4-(4-bromo-2-propan-2-ylphenoxy)cinnoline (PubChem CID 115402133) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is 4-(4-bromo-2-propan-2-ylphenoxy)cinnoline.

Molecular Properties

Compound Name4-(4-bromo-2-propan-2-ylphenoxy)cinnoline
PubChem CID115402133
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name4-(4-bromo-2-propan-2-ylphenoxy)cinnoline
SMILESCC(C)c1cc(Br)ccc1Oc1cnnc2ccccc12
InChIInChI=1S/C17H15BrN2O/c1-11(2)14-9-12(18)7-8-16(14)21-17-10-19-20-15-6-4-3-5-13(15)17/h3-11H,1-2H3
InChIKeyLCQUSNUWJMGNGM-UHFFFAOYSA-N
XLogP5.31
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.22
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-bromo-2-propan-2-ylphenoxy)cinnoline 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

4-(2-bromo-4-methoxyphenoxy)cinnoline
CID 104707553
6-(4-bromo-2-propan-2-ylphenoxy)pyrazin-2-amine
CID 113303072
2-(4-bromo-2-propan-2-ylphenoxy)benzamide
CID 115402255
1-[5-bromo-2-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 82976372
2-bromo-6-(4-bromo-2-propan-2-ylphenoxy)pyridine
CID 113302880
6-(4-bromo-2-propan-2-ylphenoxy)-N-methylpyrazin-2-amine
CID 115403123
1-[3-bromo-4-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanol
CID 115402404
1-[5-bromo-2-(2-propan-2-ylphenoxy)phenyl]-N-methylethanamine
CID 82956259
3-bromo-2-(4-bromo-2-propan-2-ylphenoxy)pyridine
CID 115402194
5-bromo-4-(4-bromo-2-propan-2-ylphenoxy)pyridin-3-amine
CID 103518830
1-[2-(4-bromo-2-propan-2-ylphenoxy)phenyl]propan-2-amine
CID 115402935
3-(4-bromo-2-propan-2-ylphenoxy)pyridine-2-carboximidamide
CID 115402309

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-propan-2-ylphenoxy)cinnoline?
The IUPAC name of 4-(4-bromo-2-propan-2-ylphenoxy)cinnoline (CID 115402133) is 4-(4-bromo-2-propan-2-ylphenoxy)cinnoline.
What is the SMILES notation for 4-(4-bromo-2-propan-2-ylphenoxy)cinnoline?
The canonical SMILES for 4-(4-bromo-2-propan-2-ylphenoxy)cinnoline is CC(C)c1cc(Br)ccc1Oc1cnnc2ccccc12.
What is the InChIKey of 4-(4-bromo-2-propan-2-ylphenoxy)cinnoline?
The InChIKey is LCQUSNUWJMGNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c1-11(2)14-9-12(18)7-8-16(14)21-17-10-19-20-15-6-4-3-5-13(15)17/h3-11H,1-2H3.
What are the key properties of 4-(4-bromo-2-propan-2-ylphenoxy)cinnoline?
4-(4-bromo-2-propan-2-ylphenoxy)cinnoline has a molecular weight of 343.22 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-propan-2-ylphenoxy)cinnoline is sourced from PubChem (CID 115402133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).