2,2,4-trimethyl-1H-quinoline;hydrochloride

C12H16ClN — CID 6602975

IUPAC2,2,4-trimethyl-1H-quinoline;hydrochloride
SMILESCC1=CC(C)(C)Nc2ccccc21.Cl
InChIInChI=1S/C12H15N.ClH/c1-9-8-12(2,3)13-11-7-5-4-6-10(9)11;/h4-8,13H,1-3H3;1H
InChIKeyNZJJOLKDAUTQAL-UHFFFAOYSA-N
MW209.72 g/mol
LogP3.72
Rot. Bonds

About 2,2,4-trimethyl-1H-quinoline;hydrochloride

2,2,4-trimethyl-1H-quinoline;hydrochloride (PubChem CID 6602975) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 2,2,4-trimethyl-1H-quinoline;hydrochloride.

Molecular Properties

Compound Name2,2,4-trimethyl-1H-quinoline;hydrochloride
PubChem CID6602975
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name2,2,4-trimethyl-1H-quinoline;hydrochloride
SMILESCC1=CC(C)(C)Nc2ccccc21.Cl
InChIInChI=1S/C12H15N.ClH/c1-9-8-12(2,3)13-11-7-5-4-6-10(9)11;/h4-8,13H,1-3H3;1H
InChIKeyNZJJOLKDAUTQAL-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2,4-trimethyl-1H-quinoline;hydrochloride 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 2,2,4-trimethyl-1H-quinoline;hydrochloride?
The IUPAC name of 2,2,4-trimethyl-1H-quinoline;hydrochloride (CID 6602975) is 2,2,4-trimethyl-1H-quinoline;hydrochloride.
What is the SMILES notation for 2,2,4-trimethyl-1H-quinoline;hydrochloride?
The canonical SMILES for 2,2,4-trimethyl-1H-quinoline;hydrochloride is CC1=CC(C)(C)Nc2ccccc21.Cl.
What is the InChIKey of 2,2,4-trimethyl-1H-quinoline;hydrochloride?
The InChIKey is NZJJOLKDAUTQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.ClH/c1-9-8-12(2,3)13-11-7-5-4-6-10(9)11;/h4-8,13H,1-3H3;1H.
What are the key properties of 2,2,4-trimethyl-1H-quinoline;hydrochloride?
2,2,4-trimethyl-1H-quinoline;hydrochloride has a molecular weight of 209.72 g/mol, XLogP of 3.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-1H-quinoline;hydrochloride is sourced from PubChem (CID 6602975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).