5-[4-(isoquinolin-1-ylmethyl)phenyl]-N,N-dimethylpentanamide

C23H26N2O — CID 67120735

IUPAC5-[4-(isoquinolin-1-ylmethyl)phenyl]-N,N-dimethylpentanamide
SMILESCN(C)C(=O)CCCCc1ccc(Cc2nccc3ccccc23)cc1
InChIInChI=1S/C23H26N2O/c1-25(2)23(26)10-6-3-7-18-11-13-19(14-12-18)17-22-21-9-5-4-8-20(21)15-16-24-22/h4-5,8-9,11-16H,3,6-7,10,17H2,1-2H3
InChIKeyXONASISUNIQHEW-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.63
Rot. Bonds7

About 5-[4-(isoquinolin-1-ylmethyl)phenyl]-N,N-dimethylpentanamide

5-[4-(isoquinolin-1-ylmethyl)phenyl]-N,N-dimethylpentanamide (PubChem CID 67120735) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is 5-[4-(isoquinolin-1-ylmethyl)phenyl]-N,N-dimethylpentanamide.

Molecular Properties

Compound Name5-[4-(isoquinolin-1-ylmethyl)phenyl]-N,N-dimethylpentanamide
PubChem CID67120735
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name5-[4-(isoquinolin-1-ylmethyl)phenyl]-N,N-dimethylpentanamide
SMILESCN(C)C(=O)CCCCc1ccc(Cc2nccc3ccccc23)cc1
InChIInChI=1S/C23H26N2O/c1-25(2)23(26)10-6-3-7-18-11-13-19(14-12-18)17-22-21-9-5-4-8-20(21)15-16-24-22/h4-5,8-9,11-16H,3,6-7,10,17H2,1-2H3
InChIKeyXONASISUNIQHEW-UHFFFAOYSA-N
XLogP4.63
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[4-(isoquinolin-1-ylmethyl)phenyl]-N,N-dimethylpentanamide 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 5-[4-(isoquinolin-1-ylmethyl)phenyl]-N,N-dimethylpentanamide?
The IUPAC name of 5-[4-(isoquinolin-1-ylmethyl)phenyl]-N,N-dimethylpentanamide (CID 67120735) is 5-[4-(isoquinolin-1-ylmethyl)phenyl]-N,N-dimethylpentanamide.
What is the SMILES notation for 5-[4-(isoquinolin-1-ylmethyl)phenyl]-N,N-dimethylpentanamide?
The canonical SMILES for 5-[4-(isoquinolin-1-ylmethyl)phenyl]-N,N-dimethylpentanamide is CN(C)C(=O)CCCCc1ccc(Cc2nccc3ccccc23)cc1.
What is the InChIKey of 5-[4-(isoquinolin-1-ylmethyl)phenyl]-N,N-dimethylpentanamide?
The InChIKey is XONASISUNIQHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-25(2)23(26)10-6-3-7-18-11-13-19(14-12-18)17-22-21-9-5-4-8-20(21)15-16-24-22/h4-5,8-9,11-16H,3,6-7,10,17H2,1-2H3.
What are the key properties of 5-[4-(isoquinolin-1-ylmethyl)phenyl]-N,N-dimethylpentanamide?
5-[4-(isoquinolin-1-ylmethyl)phenyl]-N,N-dimethylpentanamide has a molecular weight of 346.47 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(isoquinolin-1-ylmethyl)phenyl]-N,N-dimethylpentanamide is sourced from PubChem (CID 67120735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).