4-(3-bromophenoxy)-7-chloroquinoline

C15H9BrClNO — CID 2459476

IUPAC4-(3-bromophenoxy)-7-chloroquinoline
SMILESClc1ccc2c(Oc3cccc(Br)c3)ccnc2c1
InChIInChI=1S/C15H9BrClNO/c16-10-2-1-3-12(8-10)19-15-6-7-18-14-9-11(17)4-5-13(14)15/h1-9H
InChIKeyFPBNCIDUNHEJPQ-UHFFFAOYSA-N
MW334.60 g/mol
LogP5.44
Rot. Bonds2

About 4-(3-bromophenoxy)-7-chloroquinoline

4-(3-bromophenoxy)-7-chloroquinoline (PubChem CID 2459476) has the molecular formula C15H9BrClNO and a molecular weight of 334.60 g/mol. Its IUPAC name is 4-(3-bromophenoxy)-7-chloroquinoline.

Molecular Properties

Compound Name4-(3-bromophenoxy)-7-chloroquinoline
PubChem CID2459476
Molecular FormulaC15H9BrClNO
Molecular Weight334.60 g/mol
Exact Mass332.96
IUPAC Name4-(3-bromophenoxy)-7-chloroquinoline
SMILESClc1ccc2c(Oc3cccc(Br)c3)ccnc2c1
InChIInChI=1S/C15H9BrClNO/c16-10-2-1-3-12(8-10)19-15-6-7-18-14-9-11(17)4-5-13(14)15/h1-9H
InChIKeyFPBNCIDUNHEJPQ-UHFFFAOYSA-N
XLogP5.44
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.60
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(3-bromophenoxy)-7-chloroquinoline 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 4-(3-bromophenoxy)-7-chloroquinoline?
The IUPAC name of 4-(3-bromophenoxy)-7-chloroquinoline (CID 2459476) is 4-(3-bromophenoxy)-7-chloroquinoline.
What is the SMILES notation for 4-(3-bromophenoxy)-7-chloroquinoline?
The canonical SMILES for 4-(3-bromophenoxy)-7-chloroquinoline is Clc1ccc2c(Oc3cccc(Br)c3)ccnc2c1.
What is the InChIKey of 4-(3-bromophenoxy)-7-chloroquinoline?
The InChIKey is FPBNCIDUNHEJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClNO/c16-10-2-1-3-12(8-10)19-15-6-7-18-14-9-11(17)4-5-13(14)15/h1-9H.
What are the key properties of 4-(3-bromophenoxy)-7-chloroquinoline?
4-(3-bromophenoxy)-7-chloroquinoline has a molecular weight of 334.60 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenoxy)-7-chloroquinoline is sourced from PubChem (CID 2459476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).