N-[4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]-2-(ethylamino)acetamide

C20H24ClN3O — CID 24832260

IUPACN-[4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]-2-(ethylamino)acetamide
SMILESCCNCC(=O)Nc1cccc2c1CN(C)CC2c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN3O/c1-3-22-11-20(25)23-19-6-4-5-16-17(12-24(2)13-18(16)19)14-7-9-15(21)10-8-14/h4-10,17,22H,3,11-13H2,1-2H3,(H,23,25)
InChIKeyXRIHXUYKZGXHML-UHFFFAOYSA-N
MW357.89 g/mol
LogP3.47
Rot. Bonds5

About N-[4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]-2-(ethylamino)acetamide

N-[4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]-2-(ethylamino)acetamide (PubChem CID 24832260) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]-2-(ethylamino)acetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]-2-(ethylamino)acetamide
PubChem CID24832260
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC NameN-[4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]-2-(ethylamino)acetamide
SMILESCCNCC(=O)Nc1cccc2c1CN(C)CC2c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN3O/c1-3-22-11-20(25)23-19-6-4-5-16-17(12-24(2)13-18(16)19)14-7-9-15(21)10-8-14/h4-10,17,22H,3,11-13H2,1-2H3,(H,23,25)
InChIKeyXRIHXUYKZGXHML-UHFFFAOYSA-N
XLogP3.47
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]-2-(ethylamino)acetamide 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 N-[4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]-2-(ethylamino)acetamide?
The IUPAC name of N-[4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]-2-(ethylamino)acetamide (CID 24832260) is N-[4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]-2-(ethylamino)acetamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]-2-(ethylamino)acetamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]-2-(ethylamino)acetamide is CCNCC(=O)Nc1cccc2c1CN(C)CC2c1ccc(Cl)cc1.
What is the InChIKey of N-[4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]-2-(ethylamino)acetamide?
The InChIKey is XRIHXUYKZGXHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-3-22-11-20(25)23-19-6-4-5-16-17(12-24(2)13-18(16)19)14-7-9-15(21)10-8-14/h4-10,17,22H,3,11-13H2,1-2H3,(H,23,25).
What are the key properties of N-[4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]-2-(ethylamino)acetamide?
N-[4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]-2-(ethylamino)acetamide has a molecular weight of 357.89 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]-2-(ethylamino)acetamide is sourced from PubChem (CID 24832260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).