N-(4-hydroxyphenyl)-4-(4-isoquinolin-3-ylphenyl)butanamide

C25H22N2O2 — CID 155565555

IUPACN-(4-hydroxyphenyl)-4-(4-isoquinolin-3-ylphenyl)butanamide
SMILESO=C(CCCc1ccc(-c2cc3ccccc3cn2)cc1)Nc1ccc(O)cc1
InChIInChI=1S/C25H22N2O2/c28-23-14-12-22(13-15-23)27-25(29)7-3-4-18-8-10-19(11-9-18)24-16-20-5-1-2-6-21(20)17-26-24/h1-2,5-6,8-17,28H,3-4,7H2,(H,27,29)
InChIKeyAMOLMRUARSNWSM-UHFFFAOYSA-N
MW382.46 g/mol
LogP5.57
Rot. Bonds6

About N-(4-hydroxyphenyl)-4-(4-isoquinolin-3-ylphenyl)butanamide

N-(4-hydroxyphenyl)-4-(4-isoquinolin-3-ylphenyl)butanamide (PubChem CID 155565555) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-4-(4-isoquinolin-3-ylphenyl)butanamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-4-(4-isoquinolin-3-ylphenyl)butanamide
PubChem CID155565555
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC NameN-(4-hydroxyphenyl)-4-(4-isoquinolin-3-ylphenyl)butanamide
SMILESO=C(CCCc1ccc(-c2cc3ccccc3cn2)cc1)Nc1ccc(O)cc1
InChIInChI=1S/C25H22N2O2/c28-23-14-12-22(13-15-23)27-25(29)7-3-4-18-8-10-19(11-9-18)24-16-20-5-1-2-6-21(20)17-26-24/h1-2,5-6,8-17,28H,3-4,7H2,(H,27,29)
InChIKeyAMOLMRUARSNWSM-UHFFFAOYSA-N
XLogP5.57
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-hydroxyphenyl)-4-(4-isoquinolin-3-ylphenyl)butanamide 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-hydroxyphenyl)-4-(4-isoquinolin-3-ylphenyl)butanamide?
The IUPAC name of N-(4-hydroxyphenyl)-4-(4-isoquinolin-3-ylphenyl)butanamide (CID 155565555) is N-(4-hydroxyphenyl)-4-(4-isoquinolin-3-ylphenyl)butanamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-4-(4-isoquinolin-3-ylphenyl)butanamide?
The canonical SMILES for N-(4-hydroxyphenyl)-4-(4-isoquinolin-3-ylphenyl)butanamide is O=C(CCCc1ccc(-c2cc3ccccc3cn2)cc1)Nc1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-4-(4-isoquinolin-3-ylphenyl)butanamide?
The InChIKey is AMOLMRUARSNWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c28-23-14-12-22(13-15-23)27-25(29)7-3-4-18-8-10-19(11-9-18)24-16-20-5-1-2-6-21(20)17-26-24/h1-2,5-6,8-17,28H,3-4,7H2,(H,27,29).
What are the key properties of N-(4-hydroxyphenyl)-4-(4-isoquinolin-3-ylphenyl)butanamide?
N-(4-hydroxyphenyl)-4-(4-isoquinolin-3-ylphenyl)butanamide has a molecular weight of 382.46 g/mol, XLogP of 5.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-4-(4-isoquinolin-3-ylphenyl)butanamide is sourced from PubChem (CID 155565555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).