4-methoxy-3,4-dihydro-2H-isoquinolin-1-one

C10H11NO2 — CID 134611914

IUPAC4-methoxy-3,4-dihydro-2H-isoquinolin-1-one
SMILESCOC1CNC(=O)c2ccccc21
InChIInChI=1S/C10H11NO2/c1-13-9-6-11-10(12)8-5-3-2-4-7(8)9/h2-5,9H,6H2,1H3,(H,11,12)
InChIKeyPFTQDWWQYLJVMD-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.12
Rot. Bonds1

About 4-methoxy-3,4-dihydro-2H-isoquinolin-1-one

4-methoxy-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 134611914) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 4-methoxy-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name4-methoxy-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID134611914
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name4-methoxy-3,4-dihydro-2H-isoquinolin-1-one
SMILESCOC1CNC(=O)c2ccccc21
InChIInChI=1S/C10H11NO2/c1-13-9-6-11-10(12)8-5-3-2-4-7(8)9/h2-5,9H,6H2,1H3,(H,11,12)
InChIKeyPFTQDWWQYLJVMD-UHFFFAOYSA-N
XLogP1.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 4-methoxy-3,4-dihydro-2H-isoquinolin-1-one (CID 134611914) is 4-methoxy-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 4-methoxy-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 4-methoxy-3,4-dihydro-2H-isoquinolin-1-one is COC1CNC(=O)c2ccccc21.
What is the InChIKey of 4-methoxy-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is PFTQDWWQYLJVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-13-9-6-11-10(12)8-5-3-2-4-7(8)9/h2-5,9H,6H2,1H3,(H,11,12).
What are the key properties of 4-methoxy-3,4-dihydro-2H-isoquinolin-1-one?
4-methoxy-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 177.20 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 134611914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).