1-benzyl-2,2,4-trimethylquinolin-6-ol;hydrochloride

C19H22ClNO — CID 50993933

IUPAC1-benzyl-2,2,4-trimethylquinolin-6-ol;hydrochloride
SMILESCC1=CC(C)(C)N(Cc2ccccc2)c2ccc(O)cc21.Cl
InChIInChI=1S/C19H21NO.ClH/c1-14-12-19(2,3)20(13-15-7-5-4-6-8-15)18-10-9-16(21)11-17(14)18;/h4-12,21H,13H2,1-3H3;1H
InChIKeyTUGZRFDQUHLPLH-UHFFFAOYSA-N
MW315.84 g/mol
LogP5.02
Rot. Bonds2

About 1-benzyl-2,2,4-trimethylquinolin-6-ol;hydrochloride

1-benzyl-2,2,4-trimethylquinolin-6-ol;hydrochloride (PubChem CID 50993933) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is 1-benzyl-2,2,4-trimethylquinolin-6-ol;hydrochloride.

Molecular Properties

Compound Name1-benzyl-2,2,4-trimethylquinolin-6-ol;hydrochloride
PubChem CID50993933
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC Name1-benzyl-2,2,4-trimethylquinolin-6-ol;hydrochloride
SMILESCC1=CC(C)(C)N(Cc2ccccc2)c2ccc(O)cc21.Cl
InChIInChI=1S/C19H21NO.ClH/c1-14-12-19(2,3)20(13-15-7-5-4-6-8-15)18-10-9-16(21)11-17(14)18;/h4-12,21H,13H2,1-3H3;1H
InChIKeyTUGZRFDQUHLPLH-UHFFFAOYSA-N
XLogP5.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.84
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-2,2,4-trimethylquinolin-6-ol;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 1-benzyl-2,2,4-trimethylquinolin-6-ol;hydrochloride?
The IUPAC name of 1-benzyl-2,2,4-trimethylquinolin-6-ol;hydrochloride (CID 50993933) is 1-benzyl-2,2,4-trimethylquinolin-6-ol;hydrochloride.
What is the SMILES notation for 1-benzyl-2,2,4-trimethylquinolin-6-ol;hydrochloride?
The canonical SMILES for 1-benzyl-2,2,4-trimethylquinolin-6-ol;hydrochloride is CC1=CC(C)(C)N(Cc2ccccc2)c2ccc(O)cc21.Cl.
What is the InChIKey of 1-benzyl-2,2,4-trimethylquinolin-6-ol;hydrochloride?
The InChIKey is TUGZRFDQUHLPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO.ClH/c1-14-12-19(2,3)20(13-15-7-5-4-6-8-15)18-10-9-16(21)11-17(14)18;/h4-12,21H,13H2,1-3H3;1H.
What are the key properties of 1-benzyl-2,2,4-trimethylquinolin-6-ol;hydrochloride?
1-benzyl-2,2,4-trimethylquinolin-6-ol;hydrochloride has a molecular weight of 315.84 g/mol, XLogP of 5.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,2,4-trimethylquinolin-6-ol;hydrochloride is sourced from PubChem (CID 50993933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).