6-bromo-4-chloro-2-methoxy-3-(2-methylpropyl)quinoline

C14H15BrClNO — CID 118022089

IUPAC6-bromo-4-chloro-2-methoxy-3-(2-methylpropyl)quinoline
SMILESCOc1nc2ccc(Br)cc2c(Cl)c1CC(C)C
InChIInChI=1S/C14H15BrClNO/c1-8(2)6-11-13(16)10-7-9(15)4-5-12(10)17-14(11)18-3/h4-5,7-8H,6H2,1-3H3
InChIKeyJQEVENRMKLLZFP-UHFFFAOYSA-N
MW328.64 g/mol
LogP4.86
Rot. Bonds3

About 6-bromo-4-chloro-2-methoxy-3-(2-methylpropyl)quinoline

6-bromo-4-chloro-2-methoxy-3-(2-methylpropyl)quinoline (PubChem CID 118022089) has the molecular formula C14H15BrClNO and a molecular weight of 328.64 g/mol. Its IUPAC name is 6-bromo-4-chloro-2-methoxy-3-(2-methylpropyl)quinoline.

Molecular Properties

Compound Name6-bromo-4-chloro-2-methoxy-3-(2-methylpropyl)quinoline
PubChem CID118022089
Molecular FormulaC14H15BrClNO
Molecular Weight328.64 g/mol
Exact Mass327.00
IUPAC Name6-bromo-4-chloro-2-methoxy-3-(2-methylpropyl)quinoline
SMILESCOc1nc2ccc(Br)cc2c(Cl)c1CC(C)C
InChIInChI=1S/C14H15BrClNO/c1-8(2)6-11-13(16)10-7-9(15)4-5-12(10)17-14(11)18-3/h4-5,7-8H,6H2,1-3H3
InChIKeyJQEVENRMKLLZFP-UHFFFAOYSA-N
XLogP4.86
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.64
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-bromo-4-chloro-2-methoxy-3-(2-methylpropyl)quinoline 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 6-bromo-4-chloro-2-methoxy-3-(2-methylpropyl)quinoline?
The IUPAC name of 6-bromo-4-chloro-2-methoxy-3-(2-methylpropyl)quinoline (CID 118022089) is 6-bromo-4-chloro-2-methoxy-3-(2-methylpropyl)quinoline.
What is the SMILES notation for 6-bromo-4-chloro-2-methoxy-3-(2-methylpropyl)quinoline?
The canonical SMILES for 6-bromo-4-chloro-2-methoxy-3-(2-methylpropyl)quinoline is COc1nc2ccc(Br)cc2c(Cl)c1CC(C)C.
What is the InChIKey of 6-bromo-4-chloro-2-methoxy-3-(2-methylpropyl)quinoline?
The InChIKey is JQEVENRMKLLZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNO/c1-8(2)6-11-13(16)10-7-9(15)4-5-12(10)17-14(11)18-3/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 6-bromo-4-chloro-2-methoxy-3-(2-methylpropyl)quinoline?
6-bromo-4-chloro-2-methoxy-3-(2-methylpropyl)quinoline has a molecular weight of 328.64 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-2-methoxy-3-(2-methylpropyl)quinoline is sourced from PubChem (CID 118022089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).