7-[bromo(difluoro)methoxy]-4-chloro-6-methoxyquinoline

C11H7BrClF2NO2 — CID 168842805

IUPAC7-[bromo(difluoro)methoxy]-4-chloro-6-methoxyquinoline
SMILESCOc1cc2c(Cl)ccnc2cc1OC(F)(F)Br
InChIInChI=1S/C11H7BrClF2NO2/c1-17-9-4-6-7(13)2-3-16-8(6)5-10(9)18-11(12,14)15/h2-5H,1H3
InChIKeyOPNCIPQKOJWFFP-UHFFFAOYSA-N
MW338.54 g/mol
LogP4.22
Rot. Bonds3

About 7-[bromo(difluoro)methoxy]-4-chloro-6-methoxyquinoline

7-[bromo(difluoro)methoxy]-4-chloro-6-methoxyquinoline (PubChem CID 168842805) has the molecular formula C11H7BrClF2NO2 and a molecular weight of 338.54 g/mol. Its IUPAC name is 7-[bromo(difluoro)methoxy]-4-chloro-6-methoxyquinoline.

Molecular Properties

Compound Name7-[bromo(difluoro)methoxy]-4-chloro-6-methoxyquinoline
PubChem CID168842805
Molecular FormulaC11H7BrClF2NO2
Molecular Weight338.54 g/mol
Exact Mass336.93
IUPAC Name7-[bromo(difluoro)methoxy]-4-chloro-6-methoxyquinoline
SMILESCOc1cc2c(Cl)ccnc2cc1OC(F)(F)Br
InChIInChI=1S/C11H7BrClF2NO2/c1-17-9-4-6-7(13)2-3-16-8(6)5-10(9)18-11(12,14)15/h2-5H,1H3
InChIKeyOPNCIPQKOJWFFP-UHFFFAOYSA-N
XLogP4.22
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-[bromo(difluoro)methoxy]-4-chloro-6-methoxyquinoline 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 7-[bromo(difluoro)methoxy]-4-chloro-6-methoxyquinoline?
The IUPAC name of 7-[bromo(difluoro)methoxy]-4-chloro-6-methoxyquinoline (CID 168842805) is 7-[bromo(difluoro)methoxy]-4-chloro-6-methoxyquinoline.
What is the SMILES notation for 7-[bromo(difluoro)methoxy]-4-chloro-6-methoxyquinoline?
The canonical SMILES for 7-[bromo(difluoro)methoxy]-4-chloro-6-methoxyquinoline is COc1cc2c(Cl)ccnc2cc1OC(F)(F)Br.
What is the InChIKey of 7-[bromo(difluoro)methoxy]-4-chloro-6-methoxyquinoline?
The InChIKey is OPNCIPQKOJWFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClF2NO2/c1-17-9-4-6-7(13)2-3-16-8(6)5-10(9)18-11(12,14)15/h2-5H,1H3.
What are the key properties of 7-[bromo(difluoro)methoxy]-4-chloro-6-methoxyquinoline?
7-[bromo(difluoro)methoxy]-4-chloro-6-methoxyquinoline has a molecular weight of 338.54 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[bromo(difluoro)methoxy]-4-chloro-6-methoxyquinoline is sourced from PubChem (CID 168842805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).