3,7,8-trimethylquinolin-2-amine;hydrochloride

C12H15ClN2 — CID 43866004

IUPAC3,7,8-trimethylquinolin-2-amine;hydrochloride
SMILESCc1cc2ccc(C)c(C)c2nc1N.Cl
InChIInChI=1S/C12H14N2.ClH/c1-7-4-5-10-6-8(2)12(13)14-11(10)9(7)3;/h4-6H,1-3H3,(H2,13,14);1H
InChIKeyZWYLZQKQLONAII-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.16
Rot. Bonds

About 3,7,8-trimethylquinolin-2-amine;hydrochloride

3,7,8-trimethylquinolin-2-amine;hydrochloride (PubChem CID 43866004) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 3,7,8-trimethylquinolin-2-amine;hydrochloride.

Molecular Properties

Compound Name3,7,8-trimethylquinolin-2-amine;hydrochloride
PubChem CID43866004
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name3,7,8-trimethylquinolin-2-amine;hydrochloride
SMILESCc1cc2ccc(C)c(C)c2nc1N.Cl
InChIInChI=1S/C12H14N2.ClH/c1-7-4-5-10-6-8(2)12(13)14-11(10)9(7)3;/h4-6H,1-3H3,(H2,13,14);1H
InChIKeyZWYLZQKQLONAII-UHFFFAOYSA-N
XLogP3.16
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,7,8-trimethylquinolin-2-amine;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 3,7,8-trimethylquinolin-2-amine;hydrochloride?
The IUPAC name of 3,7,8-trimethylquinolin-2-amine;hydrochloride (CID 43866004) is 3,7,8-trimethylquinolin-2-amine;hydrochloride.
What is the SMILES notation for 3,7,8-trimethylquinolin-2-amine;hydrochloride?
The canonical SMILES for 3,7,8-trimethylquinolin-2-amine;hydrochloride is Cc1cc2ccc(C)c(C)c2nc1N.Cl.
What is the InChIKey of 3,7,8-trimethylquinolin-2-amine;hydrochloride?
The InChIKey is ZWYLZQKQLONAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.ClH/c1-7-4-5-10-6-8(2)12(13)14-11(10)9(7)3;/h4-6H,1-3H3,(H2,13,14);1H.
What are the key properties of 3,7,8-trimethylquinolin-2-amine;hydrochloride?
3,7,8-trimethylquinolin-2-amine;hydrochloride has a molecular weight of 222.72 g/mol, XLogP of 3.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,8-trimethylquinolin-2-amine;hydrochloride is sourced from PubChem (CID 43866004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).