N-[1-[4-(2-quinolin-5-ylethynyl)phenyl]propan-2-yl]acetamide

C22H20N2O — CID 66634808

IUPACN-[1-[4-(2-quinolin-5-ylethynyl)phenyl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)Cc1ccc(C#Cc2cccc3ncccc23)cc1
InChIInChI=1S/C22H20N2O/c1-16(24-17(2)25)15-19-10-8-18(9-11-19)12-13-20-5-3-7-22-21(20)6-4-14-23-22/h3-11,14,16H,15H2,1-2H3,(H,24,25)
InChIKeyAMSWKHHCWRMRBF-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.70
Rot. Bonds3

About N-[1-[4-(2-quinolin-5-ylethynyl)phenyl]propan-2-yl]acetamide

N-[1-[4-(2-quinolin-5-ylethynyl)phenyl]propan-2-yl]acetamide (PubChem CID 66634808) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[1-[4-(2-quinolin-5-ylethynyl)phenyl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-(2-quinolin-5-ylethynyl)phenyl]propan-2-yl]acetamide
PubChem CID66634808
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC NameN-[1-[4-(2-quinolin-5-ylethynyl)phenyl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)Cc1ccc(C#Cc2cccc3ncccc23)cc1
InChIInChI=1S/C22H20N2O/c1-16(24-17(2)25)15-19-10-8-18(9-11-19)12-13-20-5-3-7-22-21(20)6-4-14-23-22/h3-11,14,16H,15H2,1-2H3,(H,24,25)
InChIKeyAMSWKHHCWRMRBF-UHFFFAOYSA-N
XLogP3.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1-[4-(2-quinolin-5-ylethynyl)phenyl]propan-2-yl]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-[1-[4-(2-quinolin-5-ylethynyl)phenyl]propan-2-yl]acetamide?
The IUPAC name of N-[1-[4-(2-quinolin-5-ylethynyl)phenyl]propan-2-yl]acetamide (CID 66634808) is N-[1-[4-(2-quinolin-5-ylethynyl)phenyl]propan-2-yl]acetamide.
What is the SMILES notation for N-[1-[4-(2-quinolin-5-ylethynyl)phenyl]propan-2-yl]acetamide?
The canonical SMILES for N-[1-[4-(2-quinolin-5-ylethynyl)phenyl]propan-2-yl]acetamide is CC(=O)NC(C)Cc1ccc(C#Cc2cccc3ncccc23)cc1.
What is the InChIKey of N-[1-[4-(2-quinolin-5-ylethynyl)phenyl]propan-2-yl]acetamide?
The InChIKey is AMSWKHHCWRMRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c1-16(24-17(2)25)15-19-10-8-18(9-11-19)12-13-20-5-3-7-22-21(20)6-4-14-23-22/h3-11,14,16H,15H2,1-2H3,(H,24,25).
What are the key properties of N-[1-[4-(2-quinolin-5-ylethynyl)phenyl]propan-2-yl]acetamide?
N-[1-[4-(2-quinolin-5-ylethynyl)phenyl]propan-2-yl]acetamide has a molecular weight of 328.42 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-quinolin-5-ylethynyl)phenyl]propan-2-yl]acetamide is sourced from PubChem (CID 66634808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).