8-ethoxy-4H-thieno[2,3-c]isoquinolin-5-one

C13H11NO2S — CID 162368296

IUPAC8-ethoxy-4H-thieno[2,3-c]isoquinolin-5-one
SMILESCCOc1ccc2c(=O)[nH]c3sccc3c2c1
InChIInChI=1S/C13H11NO2S/c1-2-16-8-3-4-9-11(7-8)10-5-6-17-13(10)14-12(9)15/h3-7H,2H2,1H3,(H,14,15)
InChIKeyLKASVOXYBOMEHH-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.14
Rot. Bonds2

About 8-ethoxy-4H-thieno[2,3-c]isoquinolin-5-one

8-ethoxy-4H-thieno[2,3-c]isoquinolin-5-one (PubChem CID 162368296) has the molecular formula C13H11NO2S and a molecular weight of 245.30 g/mol. Its IUPAC name is 8-ethoxy-4H-thieno[2,3-c]isoquinolin-5-one.

Molecular Properties

Compound Name8-ethoxy-4H-thieno[2,3-c]isoquinolin-5-one
PubChem CID162368296
Molecular FormulaC13H11NO2S
Molecular Weight245.30 g/mol
Exact Mass245.05
IUPAC Name8-ethoxy-4H-thieno[2,3-c]isoquinolin-5-one
SMILESCCOc1ccc2c(=O)[nH]c3sccc3c2c1
InChIInChI=1S/C13H11NO2S/c1-2-16-8-3-4-9-11(7-8)10-5-6-17-13(10)14-12(9)15/h3-7H,2H2,1H3,(H,14,15)
InChIKeyLKASVOXYBOMEHH-UHFFFAOYSA-N
XLogP3.14
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-methoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one
CID 58024740
8-oxidanyl-4~{H}-thieno[2,3-c]isoquinolin-5-one
CID 161231673
Art-IN-1
CID 162368334
2-(2-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)acetamido)thiophene-3-carboxamide
CID 46926712
8-phenylmethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one
CID 162368286
8-[(3-bromophenyl)methoxy]-4~{H}-thieno[2,3-c]isoquinolin-5-one
CID 162368287
N-(2,4-difluorophenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 16010355
Methyl 2-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)thiophene-3-carboxylate
CID 5310252
2-(2-(3-Methoxyphenyl)acetamido)thiophene-3-carboxamide
CID 16911507
6-methyl-2-[(4-phenylmethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118732649
N-(4-Oxo-4H-thieno[3,4-c]chromen-3-yl)acetamide
CID 612354
N-(3-cyanothiophen-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 2809631

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-4H-thieno[2,3-c]isoquinolin-5-one?
The IUPAC name of 8-ethoxy-4H-thieno[2,3-c]isoquinolin-5-one (CID 162368296) is 8-ethoxy-4H-thieno[2,3-c]isoquinolin-5-one.
What is the SMILES notation for 8-ethoxy-4H-thieno[2,3-c]isoquinolin-5-one?
The canonical SMILES for 8-ethoxy-4H-thieno[2,3-c]isoquinolin-5-one is CCOc1ccc2c(=O)[nH]c3sccc3c2c1.
What is the InChIKey of 8-ethoxy-4H-thieno[2,3-c]isoquinolin-5-one?
The InChIKey is LKASVOXYBOMEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2S/c1-2-16-8-3-4-9-11(7-8)10-5-6-17-13(10)14-12(9)15/h3-7H,2H2,1H3,(H,14,15).
What are the key properties of 8-ethoxy-4H-thieno[2,3-c]isoquinolin-5-one?
8-ethoxy-4H-thieno[2,3-c]isoquinolin-5-one has a molecular weight of 245.30 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-4H-thieno[2,3-c]isoquinolin-5-one is sourced from PubChem (CID 162368296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).