7-bromo-2,2,4-trimethyl-1H-quinoline

C12H14BrN — CID 53418882

IUPAC7-bromo-2,2,4-trimethyl-1H-quinoline
SMILESCC1=CC(C)(C)Nc2cc(Br)ccc21
InChIInChI=1S/C12H14BrN/c1-8-7-12(2,3)14-11-6-9(13)4-5-10(8)11/h4-7,14H,1-3H3
InChIKeyAYTQOWZVJHKYQY-UHFFFAOYSA-N
MW252.15 g/mol
LogP4.06
Rot. Bonds

About 7-bromo-2,2,4-trimethyl-1H-quinoline

7-bromo-2,2,4-trimethyl-1H-quinoline (PubChem CID 53418882) has the molecular formula C12H14BrN and a molecular weight of 252.15 g/mol. Its IUPAC name is 7-bromo-2,2,4-trimethyl-1H-quinoline.

Molecular Properties

Compound Name7-bromo-2,2,4-trimethyl-1H-quinoline
PubChem CID53418882
Molecular FormulaC12H14BrN
Molecular Weight252.15 g/mol
Exact Mass251.03
IUPAC Name7-bromo-2,2,4-trimethyl-1H-quinoline
SMILESCC1=CC(C)(C)Nc2cc(Br)ccc21
InChIInChI=1S/C12H14BrN/c1-8-7-12(2,3)14-11-6-9(13)4-5-10(8)11/h4-7,14H,1-3H3
InChIKeyAYTQOWZVJHKYQY-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2,2,4-trimethyl-1H-quinoline?
The IUPAC name of 7-bromo-2,2,4-trimethyl-1H-quinoline (CID 53418882) is 7-bromo-2,2,4-trimethyl-1H-quinoline.
What is the SMILES notation for 7-bromo-2,2,4-trimethyl-1H-quinoline?
The canonical SMILES for 7-bromo-2,2,4-trimethyl-1H-quinoline is CC1=CC(C)(C)Nc2cc(Br)ccc21.
What is the InChIKey of 7-bromo-2,2,4-trimethyl-1H-quinoline?
The InChIKey is AYTQOWZVJHKYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN/c1-8-7-12(2,3)14-11-6-9(13)4-5-10(8)11/h4-7,14H,1-3H3.
What are the key properties of 7-bromo-2,2,4-trimethyl-1H-quinoline?
7-bromo-2,2,4-trimethyl-1H-quinoline has a molecular weight of 252.15 g/mol, XLogP of 4.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2,2,4-trimethyl-1H-quinoline is sourced from PubChem (CID 53418882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).