3-ethyl-2-methoxyisoquinolin-1-one

C12H13NO2 — CID 70038909

IUPAC3-ethyl-2-methoxyisoquinolin-1-one
SMILESCCc1cc2ccccc2c(=O)n1OC
InChIInChI=1S/C12H13NO2/c1-3-10-8-9-6-4-5-7-11(9)12(14)13(10)15-2/h4-8H,3H2,1-2H3
InChIKeyKBIZDXZCJNTSSS-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.62
Rot. Bonds2

About 3-ethyl-2-methoxyisoquinolin-1-one

3-ethyl-2-methoxyisoquinolin-1-one (PubChem CID 70038909) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-ethyl-2-methoxyisoquinolin-1-one.

Molecular Properties

Compound Name3-ethyl-2-methoxyisoquinolin-1-one
PubChem CID70038909
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name3-ethyl-2-methoxyisoquinolin-1-one
SMILESCCc1cc2ccccc2c(=O)n1OC
InChIInChI=1S/C12H13NO2/c1-3-10-8-9-6-4-5-7-11(9)12(14)13(10)15-2/h4-8H,3H2,1-2H3
InChIKeyKBIZDXZCJNTSSS-UHFFFAOYSA-N
XLogP1.62
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methoxyisoquinolin-1-one?
The IUPAC name of 3-ethyl-2-methoxyisoquinolin-1-one (CID 70038909) is 3-ethyl-2-methoxyisoquinolin-1-one.
What is the SMILES notation for 3-ethyl-2-methoxyisoquinolin-1-one?
The canonical SMILES for 3-ethyl-2-methoxyisoquinolin-1-one is CCc1cc2ccccc2c(=O)n1OC.
What is the InChIKey of 3-ethyl-2-methoxyisoquinolin-1-one?
The InChIKey is KBIZDXZCJNTSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-3-10-8-9-6-4-5-7-11(9)12(14)13(10)15-2/h4-8H,3H2,1-2H3.
What are the key properties of 3-ethyl-2-methoxyisoquinolin-1-one?
3-ethyl-2-methoxyisoquinolin-1-one has a molecular weight of 203.24 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methoxyisoquinolin-1-one is sourced from PubChem (CID 70038909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).