3-ethyl-2-phenyl-8-(2-pyridin-2-ylethynyl)isoquinolin-1-one

C24H18N2O — CID 144824555

IUPAC3-ethyl-2-phenyl-8-(2-pyridin-2-ylethynyl)isoquinolin-1-one
SMILESCCc1cc2cccc(C#Cc3ccccn3)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C24H18N2O/c1-2-21-17-19-10-8-9-18(14-15-20-11-6-7-16-25-20)23(19)24(27)26(21)22-12-4-3-5-13-22/h3-13,16-17H,2H2,1H3
InChIKeyZDDVQYMCHOCYBC-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.35
Rot. Bonds2

About 3-ethyl-2-phenyl-8-(2-pyridin-2-ylethynyl)isoquinolin-1-one

3-ethyl-2-phenyl-8-(2-pyridin-2-ylethynyl)isoquinolin-1-one (PubChem CID 144824555) has the molecular formula C24H18N2O and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-ethyl-2-phenyl-8-(2-pyridin-2-ylethynyl)isoquinolin-1-one.

Molecular Properties

Compound Name3-ethyl-2-phenyl-8-(2-pyridin-2-ylethynyl)isoquinolin-1-one
PubChem CID144824555
Molecular FormulaC24H18N2O
Molecular Weight350.42 g/mol
Exact Mass350.14
IUPAC Name3-ethyl-2-phenyl-8-(2-pyridin-2-ylethynyl)isoquinolin-1-one
SMILESCCc1cc2cccc(C#Cc3ccccn3)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C24H18N2O/c1-2-21-17-19-10-8-9-18(14-15-20-11-6-7-16-25-20)23(19)24(27)26(21)22-12-4-3-5-13-22/h3-13,16-17H,2H2,1H3
InChIKeyZDDVQYMCHOCYBC-UHFFFAOYSA-N
XLogP4.35
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-ethyl-2-phenyl-8-(2-pyridin-2-ylethynyl)isoquinolin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-8-[2-(2-methyl-3-pyridinyl)ethynyl]-2-phenylisoquinolin-1-one
CID 144824494
8-but-1-ynyl-3-ethyl-2-phenylisoquinolin-1-one
CID 144824176
8-(3,3-dimethylbut-1-ynyl)-3-ethyl-2-phenylisoquinolin-1-one
CID 144824598
3-ethyl-8-[2-(6-methyl-3-pyridinyl)ethynyl]-2-phenylisoquinolin-1-one
CID 144824660
3-ethyl-8-[2-(2-methoxy-4-pyridinyl)ethynyl]-2-phenylisoquinolin-1-one
CID 144824443
8-[2-(1-cyclopropylpyrazol-4-yl)ethynyl]-3-ethyl-2-phenylisoquinolin-1-one
CID 167067236
3-aminopyrazine-2-carboxamide;N-[3-(3-ethyl-1-oxo-2-phenylisoquinolin-8-yl)prop-2-ynyl]methanesulfonamide
CID 144926665
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-phenylisoquinolin-1-one
CID 144824687
3-ethyl-8-[2-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-4-yl]ethynyl]-2-phenylisoquinolin-1-one
CID 144927091
3-ethyl-N-methyl-1-oxo-2-phenylisoquinoline-8-carboxamide
CID 144514885
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-[2-(5-methyl-1,3-thiazol-4-yl)ethynyl]-2-phenylisoquinolin-1-one
CID 144824584
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;8-[2-(2,3-dimethylimidazol-4-yl)ethynyl]-3-ethyl-2-phenylisoquinolin-1-one
CID 144824587

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-phenyl-8-(2-pyridin-2-ylethynyl)isoquinolin-1-one?
The IUPAC name of 3-ethyl-2-phenyl-8-(2-pyridin-2-ylethynyl)isoquinolin-1-one (CID 144824555) is 3-ethyl-2-phenyl-8-(2-pyridin-2-ylethynyl)isoquinolin-1-one.
What is the SMILES notation for 3-ethyl-2-phenyl-8-(2-pyridin-2-ylethynyl)isoquinolin-1-one?
The canonical SMILES for 3-ethyl-2-phenyl-8-(2-pyridin-2-ylethynyl)isoquinolin-1-one is CCc1cc2cccc(C#Cc3ccccn3)c2c(=O)n1-c1ccccc1.
What is the InChIKey of 3-ethyl-2-phenyl-8-(2-pyridin-2-ylethynyl)isoquinolin-1-one?
The InChIKey is ZDDVQYMCHOCYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O/c1-2-21-17-19-10-8-9-18(14-15-20-11-6-7-16-25-20)23(19)24(27)26(21)22-12-4-3-5-13-22/h3-13,16-17H,2H2,1H3.
What are the key properties of 3-ethyl-2-phenyl-8-(2-pyridin-2-ylethynyl)isoquinolin-1-one?
3-ethyl-2-phenyl-8-(2-pyridin-2-ylethynyl)isoquinolin-1-one has a molecular weight of 350.42 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-phenyl-8-(2-pyridin-2-ylethynyl)isoquinolin-1-one is sourced from PubChem (CID 144824555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).