2-(4-bromophenoxy)quinoline-4-carbonitrile

C16H9BrN2O — CID 746508

IUPAC2-(4-bromophenoxy)quinoline-4-carbonitrile
SMILESN#Cc1cc(Oc2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C16H9BrN2O/c17-12-5-7-13(8-6-12)20-16-9-11(10-18)14-3-1-2-4-15(14)19-16/h1-9H
InChIKeyLJTWHTQPIAYMDD-UHFFFAOYSA-N
MW325.17 g/mol
LogP4.66
Rot. Bonds2

About 2-(4-bromophenoxy)quinoline-4-carbonitrile

2-(4-bromophenoxy)quinoline-4-carbonitrile (PubChem CID 746508) has the molecular formula C16H9BrN2O and a molecular weight of 325.17 g/mol. Its IUPAC name is 2-(4-bromophenoxy)quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-(4-bromophenoxy)quinoline-4-carbonitrile
PubChem CID746508
Molecular FormulaC16H9BrN2O
Molecular Weight325.17 g/mol
Exact Mass323.99
IUPAC Name2-(4-bromophenoxy)quinoline-4-carbonitrile
SMILESN#Cc1cc(Oc2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C16H9BrN2O/c17-12-5-7-13(8-6-12)20-16-9-11(10-18)14-3-1-2-4-15(14)19-16/h1-9H
InChIKeyLJTWHTQPIAYMDD-UHFFFAOYSA-N
XLogP4.66
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromophenoxy)quinoline-4-carbonitrile 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 2-(4-bromophenoxy)quinoline-4-carbonitrile?
The IUPAC name of 2-(4-bromophenoxy)quinoline-4-carbonitrile (CID 746508) is 2-(4-bromophenoxy)quinoline-4-carbonitrile.
What is the SMILES notation for 2-(4-bromophenoxy)quinoline-4-carbonitrile?
The canonical SMILES for 2-(4-bromophenoxy)quinoline-4-carbonitrile is N#Cc1cc(Oc2ccc(Br)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-bromophenoxy)quinoline-4-carbonitrile?
The InChIKey is LJTWHTQPIAYMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrN2O/c17-12-5-7-13(8-6-12)20-16-9-11(10-18)14-3-1-2-4-15(14)19-16/h1-9H.
What are the key properties of 2-(4-bromophenoxy)quinoline-4-carbonitrile?
2-(4-bromophenoxy)quinoline-4-carbonitrile has a molecular weight of 325.17 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)quinoline-4-carbonitrile is sourced from PubChem (CID 746508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).