ethane;4-methoxy-2H-isoquinolin-1-one

C12H15NO2 — CID 90873525

IUPACethane;4-methoxy-2H-isoquinolin-1-one
SMILESCC.COc1c[nH]c(=O)c2ccccc12
InChIInChI=1S/C10H9NO2.C2H6/c1-13-9-6-11-10(12)8-5-3-2-4-7(8)9;1-2/h2-6H,1H3,(H,11,12);1-2H3
InChIKeyXCNDGMURIWYDCH-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.56
Rot. Bonds1

About ethane;4-methoxy-2H-isoquinolin-1-one

ethane;4-methoxy-2H-isoquinolin-1-one (PubChem CID 90873525) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is ethane;4-methoxy-2H-isoquinolin-1-one.

Molecular Properties

Compound Nameethane;4-methoxy-2H-isoquinolin-1-one
PubChem CID90873525
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Nameethane;4-methoxy-2H-isoquinolin-1-one
SMILESCC.COc1c[nH]c(=O)c2ccccc12
InChIInChI=1S/C10H9NO2.C2H6/c1-13-9-6-11-10(12)8-5-3-2-4-7(8)9;1-2/h2-6H,1H3,(H,11,12);1-2H3
InChIKeyXCNDGMURIWYDCH-UHFFFAOYSA-N
XLogP2.56
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methoxy-2H-isoquinolin-1-one?
The IUPAC name of ethane;4-methoxy-2H-isoquinolin-1-one (CID 90873525) is ethane;4-methoxy-2H-isoquinolin-1-one.
What is the SMILES notation for ethane;4-methoxy-2H-isoquinolin-1-one?
The canonical SMILES for ethane;4-methoxy-2H-isoquinolin-1-one is CC.COc1c[nH]c(=O)c2ccccc12.
What is the InChIKey of ethane;4-methoxy-2H-isoquinolin-1-one?
The InChIKey is XCNDGMURIWYDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2.C2H6/c1-13-9-6-11-10(12)8-5-3-2-4-7(8)9;1-2/h2-6H,1H3,(H,11,12);1-2H3.
What are the key properties of ethane;4-methoxy-2H-isoquinolin-1-one?
ethane;4-methoxy-2H-isoquinolin-1-one has a molecular weight of 205.26 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methoxy-2H-isoquinolin-1-one is sourced from PubChem (CID 90873525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).