3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)propanamide;hydrochloride

C20H25ClN2O2 — CID 2903032

IUPAC3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)propanamide;hydrochloride
SMILESCOc1ccc(C)cc1NC(=O)CCN1CCc2ccccc2C1.Cl
InChIInChI=1S/C20H24N2O2.ClH/c1-15-7-8-19(24-2)18(13-15)21-20(23)10-12-22-11-9-16-5-3-4-6-17(16)14-22;/h3-8,13H,9-12,14H2,1-2H3,(H,21,23);1H
InChIKeyHBCKOOOGGFLWHD-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.81
Rot. Bonds5

About 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)propanamide;hydrochloride

3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)propanamide;hydrochloride (PubChem CID 2903032) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)propanamide;hydrochloride
PubChem CID2903032
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)propanamide;hydrochloride
SMILESCOc1ccc(C)cc1NC(=O)CCN1CCc2ccccc2C1.Cl
InChIInChI=1S/C20H24N2O2.ClH/c1-15-7-8-19(24-2)18(13-15)21-20(23)10-12-22-11-9-16-5-3-4-6-17(16)14-22;/h3-8,13H,9-12,14H2,1-2H3,(H,21,23);1H
InChIKeyHBCKOOOGGFLWHD-UHFFFAOYSA-N
XLogP3.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 109031290
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethylphenyl)propanamide
CID 109031261
N-(2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropanamide
CID 28807979
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methylphenyl)propanamide;hydrochloride
CID 52998055
N-(2-methoxy-5-methylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109033774
3-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide chloride
CID 53350774
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 109027353
N-(2-tert-butylphenyl)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 109031276
1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
CID 108977289
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 109030197
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 46377247

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)propanamide;hydrochloride?
The IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)propanamide;hydrochloride (CID 2903032) is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)propanamide;hydrochloride?
The canonical SMILES for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)propanamide;hydrochloride is COc1ccc(C)cc1NC(=O)CCN1CCc2ccccc2C1.Cl.
What is the InChIKey of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)propanamide;hydrochloride?
The InChIKey is HBCKOOOGGFLWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2.ClH/c1-15-7-8-19(24-2)18(13-15)21-20(23)10-12-22-11-9-16-5-3-4-6-17(16)14-22;/h3-8,13H,9-12,14H2,1-2H3,(H,21,23);1H.
What are the key properties of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)propanamide;hydrochloride?
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)propanamide;hydrochloride has a molecular weight of 360.89 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 2903032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).