N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenylacetamide

C25H22N2O2 — CID 2876588

IUPACN-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenylacetamide
SMILESCc1ccc(C(NC(=O)Cc2ccccc2)c2ccc3cccnc3c2O)cc1
InChIInChI=1S/C25H22N2O2/c1-17-9-11-20(12-10-17)23(27-22(28)16-18-6-3-2-4-7-18)21-14-13-19-8-5-15-26-24(19)25(21)29/h2-15,23,29H,16H2,1H3,(H,27,28)
InChIKeySGMUTMBUJAZEJZ-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.70
Rot. Bonds5

About N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenylacetamide

N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenylacetamide (PubChem CID 2876588) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenylacetamide
PubChem CID2876588
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC NameN-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenylacetamide
SMILESCc1ccc(C(NC(=O)Cc2ccccc2)c2ccc3cccnc3c2O)cc1
InChIInChI=1S/C25H22N2O2/c1-17-9-11-20(12-10-17)23(27-22(28)16-18-6-3-2-4-7-18)21-14-13-19-8-5-15-26-24(19)25(21)29/h2-15,23,29H,16H2,1H3,(H,27,28)
InChIKeySGMUTMBUJAZEJZ-UHFFFAOYSA-N
XLogP4.70
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenylacetamide 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-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenylacetamide?
The IUPAC name of N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenylacetamide (CID 2876588) is N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenylacetamide.
What is the SMILES notation for N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenylacetamide?
The canonical SMILES for N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenylacetamide is Cc1ccc(C(NC(=O)Cc2ccccc2)c2ccc3cccnc3c2O)cc1.
What is the InChIKey of N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenylacetamide?
The InChIKey is SGMUTMBUJAZEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c1-17-9-11-20(12-10-17)23(27-22(28)16-18-6-3-2-4-7-18)21-14-13-19-8-5-15-26-24(19)25(21)29/h2-15,23,29H,16H2,1H3,(H,27,28).
What are the key properties of N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenylacetamide?
N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenylacetamide has a molecular weight of 382.46 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenylacetamide is sourced from PubChem (CID 2876588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).