4-bromo-3-chloro-8-methoxy-5-methylquinoline

C11H9BrClNO — CID 114763949

IUPAC4-bromo-3-chloro-8-methoxy-5-methylquinoline
SMILESCOc1ccc(C)c2c(Br)c(Cl)cnc12
InChIInChI=1S/C11H9BrClNO/c1-6-3-4-8(15-2)11-9(6)10(12)7(13)5-14-11/h3-5H,1-2H3
InChIKeyFOOKXIYSPYPFGM-UHFFFAOYSA-N
MW286.56 g/mol
LogP3.97
Rot. Bonds1

About 4-bromo-3-chloro-8-methoxy-5-methylquinoline

4-bromo-3-chloro-8-methoxy-5-methylquinoline (PubChem CID 114763949) has the molecular formula C11H9BrClNO and a molecular weight of 286.56 g/mol. Its IUPAC name is 4-bromo-3-chloro-8-methoxy-5-methylquinoline.

Molecular Properties

Compound Name4-bromo-3-chloro-8-methoxy-5-methylquinoline
PubChem CID114763949
Molecular FormulaC11H9BrClNO
Molecular Weight286.56 g/mol
Exact Mass284.96
IUPAC Name4-bromo-3-chloro-8-methoxy-5-methylquinoline
SMILESCOc1ccc(C)c2c(Br)c(Cl)cnc12
InChIInChI=1S/C11H9BrClNO/c1-6-3-4-8(15-2)11-9(6)10(12)7(13)5-14-11/h3-5H,1-2H3
InChIKeyFOOKXIYSPYPFGM-UHFFFAOYSA-N
XLogP3.97
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.56
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-3-chloro-8-methoxy-5-methylquinoline 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-bromo-3-chloro-8-methoxy-5-methylquinoline?
The IUPAC name of 4-bromo-3-chloro-8-methoxy-5-methylquinoline (CID 114763949) is 4-bromo-3-chloro-8-methoxy-5-methylquinoline.
What is the SMILES notation for 4-bromo-3-chloro-8-methoxy-5-methylquinoline?
The canonical SMILES for 4-bromo-3-chloro-8-methoxy-5-methylquinoline is COc1ccc(C)c2c(Br)c(Cl)cnc12.
What is the InChIKey of 4-bromo-3-chloro-8-methoxy-5-methylquinoline?
The InChIKey is FOOKXIYSPYPFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClNO/c1-6-3-4-8(15-2)11-9(6)10(12)7(13)5-14-11/h3-5H,1-2H3.
What are the key properties of 4-bromo-3-chloro-8-methoxy-5-methylquinoline?
4-bromo-3-chloro-8-methoxy-5-methylquinoline has a molecular weight of 286.56 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-8-methoxy-5-methylquinoline is sourced from PubChem (CID 114763949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).