5-(2-ethoxyethoxy)-2-(2-ethoxyethyl)isoquinolin-1-one

C17H23NO4 — CID 43985622

IUPAC5-(2-ethoxyethoxy)-2-(2-ethoxyethyl)isoquinolin-1-one
SMILESCCOCCOc1cccc2c(=O)n(CCOCC)ccc12
InChIInChI=1S/C17H23NO4/c1-3-20-11-10-18-9-8-14-15(17(18)19)6-5-7-16(14)22-13-12-21-4-2/h5-9H,3-4,10-13H2,1-2H3
InChIKeyPSDRUQKKFBRHSS-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.45
Rot. Bonds9

About 5-(2-ethoxyethoxy)-2-(2-ethoxyethyl)isoquinolin-1-one

5-(2-ethoxyethoxy)-2-(2-ethoxyethyl)isoquinolin-1-one (PubChem CID 43985622) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 5-(2-ethoxyethoxy)-2-(2-ethoxyethyl)isoquinolin-1-one.

Molecular Properties

Compound Name5-(2-ethoxyethoxy)-2-(2-ethoxyethyl)isoquinolin-1-one
PubChem CID43985622
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name5-(2-ethoxyethoxy)-2-(2-ethoxyethyl)isoquinolin-1-one
SMILESCCOCCOc1cccc2c(=O)n(CCOCC)ccc12
InChIInChI=1S/C17H23NO4/c1-3-20-11-10-18-9-8-14-15(17(18)19)6-5-7-16(14)22-13-12-21-4-2/h5-9H,3-4,10-13H2,1-2H3
InChIKeyPSDRUQKKFBRHSS-UHFFFAOYSA-N
XLogP2.45
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(2-ethoxyethoxy)-2-(2-ethoxyethyl)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

5-[2-(4-chlorophenyl)-2-oxoethoxy]-2-(2-ethoxyethyl)isoquinolin-1-one
CID 7293402
5-butoxy-2-(2-methoxyethyl)isoquinolin-1-one
CID 43985585
methyl 4-[[2-[2-(2-ethoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetyl]amino]benzoate
CID 16803082
2-[2-(2-ethoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7293380
5-prop-2-enoxy-2-propylisoquinolin-1-one
CID 43985528
2-ethyl-5-(2-pyrrolidin-1-ylethoxy)isoquinolin-1-one
CID 43985507
2-(2-methoxyethyl)-5-(2-piperidin-1-ylethoxy)isoquinolin-1-one
CID 43985596
N-methyl-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide
CID 7293222
2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-propylacetamide
CID 7293336
2-[2-[5-(2-ethoxyethoxy)naphthalen-1-yl]oxyethoxy]ethanol
CID 144738763
2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-methylacetamide
CID 7293155
1-(2-ethoxyethyl)-3-propan-2-ylpyridin-2-one
CID 178098981

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyethoxy)-2-(2-ethoxyethyl)isoquinolin-1-one?
The IUPAC name of 5-(2-ethoxyethoxy)-2-(2-ethoxyethyl)isoquinolin-1-one (CID 43985622) is 5-(2-ethoxyethoxy)-2-(2-ethoxyethyl)isoquinolin-1-one.
What is the SMILES notation for 5-(2-ethoxyethoxy)-2-(2-ethoxyethyl)isoquinolin-1-one?
The canonical SMILES for 5-(2-ethoxyethoxy)-2-(2-ethoxyethyl)isoquinolin-1-one is CCOCCOc1cccc2c(=O)n(CCOCC)ccc12.
What is the InChIKey of 5-(2-ethoxyethoxy)-2-(2-ethoxyethyl)isoquinolin-1-one?
The InChIKey is PSDRUQKKFBRHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-3-20-11-10-18-9-8-14-15(17(18)19)6-5-7-16(14)22-13-12-21-4-2/h5-9H,3-4,10-13H2,1-2H3.
What are the key properties of 5-(2-ethoxyethoxy)-2-(2-ethoxyethyl)isoquinolin-1-one?
5-(2-ethoxyethoxy)-2-(2-ethoxyethyl)isoquinolin-1-one has a molecular weight of 305.37 g/mol, XLogP of 2.45, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyethoxy)-2-(2-ethoxyethyl)isoquinolin-1-one is sourced from PubChem (CID 43985622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).