N-isoquinolin-6-yl-2-(2-methylphenoxy)acetamide

C18H16N2O2 — CID 138115404

IUPACN-isoquinolin-6-yl-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc2cnccc2c1
InChIInChI=1S/C18H16N2O2/c1-13-4-2-3-5-17(13)22-12-18(21)20-16-7-6-15-11-19-9-8-14(15)10-16/h2-11H,12H2,1H3,(H,20,21)
InChIKeyPEVCERQGPZRIFE-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.56
Rot. Bonds4

About N-isoquinolin-6-yl-2-(2-methylphenoxy)acetamide

N-isoquinolin-6-yl-2-(2-methylphenoxy)acetamide (PubChem CID 138115404) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-isoquinolin-6-yl-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-isoquinolin-6-yl-2-(2-methylphenoxy)acetamide
PubChem CID138115404
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC NameN-isoquinolin-6-yl-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc2cnccc2c1
InChIInChI=1S/C18H16N2O2/c1-13-4-2-3-5-17(13)22-12-18(21)20-16-7-6-15-11-19-9-8-14(15)10-16/h2-11H,12H2,1H3,(H,20,21)
InChIKeyPEVCERQGPZRIFE-UHFFFAOYSA-N
XLogP3.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-isoquinolin-6-yl-2-(2-methylphenoxy)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-isoquinolin-6-yl-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-isoquinolin-6-yl-2-(2-methylphenoxy)acetamide (CID 138115404) is N-isoquinolin-6-yl-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-isoquinolin-6-yl-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-isoquinolin-6-yl-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)Nc1ccc2cnccc2c1.
What is the InChIKey of N-isoquinolin-6-yl-2-(2-methylphenoxy)acetamide?
The InChIKey is PEVCERQGPZRIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-13-4-2-3-5-17(13)22-12-18(21)20-16-7-6-15-11-19-9-8-14(15)10-16/h2-11H,12H2,1H3,(H,20,21).
What are the key properties of N-isoquinolin-6-yl-2-(2-methylphenoxy)acetamide?
N-isoquinolin-6-yl-2-(2-methylphenoxy)acetamide has a molecular weight of 292.34 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-6-yl-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 138115404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).