9-methoxy-2,4-dihydro-1H-thieno[2,3-c]isoquinolin-5-one

C12H11NO2S — CID 70252151

IUPAC9-methoxy-2,4-dihydro-1H-thieno[2,3-c]isoquinolin-5-one
SMILESCOc1cccc2c(=O)[nH]c3c(c12)CCS3
InChIInChI=1S/C12H11NO2S/c1-15-9-4-2-3-7-10(9)8-5-6-16-12(8)13-11(7)14/h2-4H,5-6H2,1H3,(H,13,14)
InChIKeyZXOVFCPZCBRGFW-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.18
Rot. Bonds1

About 9-methoxy-2,4-dihydro-1H-thieno[2,3-c]isoquinolin-5-one

9-methoxy-2,4-dihydro-1H-thieno[2,3-c]isoquinolin-5-one (PubChem CID 70252151) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 9-methoxy-2,4-dihydro-1H-thieno[2,3-c]isoquinolin-5-one.

Molecular Properties

Compound Name9-methoxy-2,4-dihydro-1H-thieno[2,3-c]isoquinolin-5-one
PubChem CID70252151
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name9-methoxy-2,4-dihydro-1H-thieno[2,3-c]isoquinolin-5-one
SMILESCOc1cccc2c(=O)[nH]c3c(c12)CCS3
InChIInChI=1S/C12H11NO2S/c1-15-9-4-2-3-7-10(9)8-5-6-16-12(8)13-11(7)14/h2-4H,5-6H2,1H3,(H,13,14)
InChIKeyZXOVFCPZCBRGFW-UHFFFAOYSA-N
XLogP2.18
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-2,4-dihydro-1H-thieno[2,3-c]isoquinolin-5-one?
The IUPAC name of 9-methoxy-2,4-dihydro-1H-thieno[2,3-c]isoquinolin-5-one (CID 70252151) is 9-methoxy-2,4-dihydro-1H-thieno[2,3-c]isoquinolin-5-one.
What is the SMILES notation for 9-methoxy-2,4-dihydro-1H-thieno[2,3-c]isoquinolin-5-one?
The canonical SMILES for 9-methoxy-2,4-dihydro-1H-thieno[2,3-c]isoquinolin-5-one is COc1cccc2c(=O)[nH]c3c(c12)CCS3.
What is the InChIKey of 9-methoxy-2,4-dihydro-1H-thieno[2,3-c]isoquinolin-5-one?
The InChIKey is ZXOVFCPZCBRGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-15-9-4-2-3-7-10(9)8-5-6-16-12(8)13-11(7)14/h2-4H,5-6H2,1H3,(H,13,14).
What are the key properties of 9-methoxy-2,4-dihydro-1H-thieno[2,3-c]isoquinolin-5-one?
9-methoxy-2,4-dihydro-1H-thieno[2,3-c]isoquinolin-5-one has a molecular weight of 233.29 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-2,4-dihydro-1H-thieno[2,3-c]isoquinolin-5-one is sourced from PubChem (CID 70252151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).