6-bromo-2,2,4,7-tetramethyl-1H-quinoline

C13H16BrN — CID 53418602

IUPAC6-bromo-2,2,4,7-tetramethyl-1H-quinoline
SMILESCC1=CC(C)(C)Nc2cc(C)c(Br)cc21
InChIInChI=1S/C13H16BrN/c1-8-5-12-10(6-11(8)14)9(2)7-13(3,4)15-12/h5-7,15H,1-4H3
InChIKeyXOXBDHLJZASORX-UHFFFAOYSA-N
MW266.18 g/mol
LogP4.36
Rot. Bonds

About 6-bromo-2,2,4,7-tetramethyl-1H-quinoline

6-bromo-2,2,4,7-tetramethyl-1H-quinoline (PubChem CID 53418602) has the molecular formula C13H16BrN and a molecular weight of 266.18 g/mol. Its IUPAC name is 6-bromo-2,2,4,7-tetramethyl-1H-quinoline.

Molecular Properties

Compound Name6-bromo-2,2,4,7-tetramethyl-1H-quinoline
PubChem CID53418602
Molecular FormulaC13H16BrN
Molecular Weight266.18 g/mol
Exact Mass265.05
IUPAC Name6-bromo-2,2,4,7-tetramethyl-1H-quinoline
SMILESCC1=CC(C)(C)Nc2cc(C)c(Br)cc21
InChIInChI=1S/C13H16BrN/c1-8-5-12-10(6-11(8)14)9(2)7-13(3,4)15-12/h5-7,15H,1-4H3
InChIKeyXOXBDHLJZASORX-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-bromo-2,2,4,7-tetramethyl-1H-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-2,2,4,7-tetramethyl-1H-quinoline?
The IUPAC name of 6-bromo-2,2,4,7-tetramethyl-1H-quinoline (CID 53418602) is 6-bromo-2,2,4,7-tetramethyl-1H-quinoline.
What is the SMILES notation for 6-bromo-2,2,4,7-tetramethyl-1H-quinoline?
The canonical SMILES for 6-bromo-2,2,4,7-tetramethyl-1H-quinoline is CC1=CC(C)(C)Nc2cc(C)c(Br)cc21.
What is the InChIKey of 6-bromo-2,2,4,7-tetramethyl-1H-quinoline?
The InChIKey is XOXBDHLJZASORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN/c1-8-5-12-10(6-11(8)14)9(2)7-13(3,4)15-12/h5-7,15H,1-4H3.
What are the key properties of 6-bromo-2,2,4,7-tetramethyl-1H-quinoline?
6-bromo-2,2,4,7-tetramethyl-1H-quinoline has a molecular weight of 266.18 g/mol, XLogP of 4.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,2,4,7-tetramethyl-1H-quinoline is sourced from PubChem (CID 53418602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).