2-ethyl-7-methoxyisoquinolin-3-one

C12H13NO2 — CID 134987185

IUPAC2-ethyl-7-methoxyisoquinolin-3-one
SMILESCCn1cc2cc(OC)ccc2cc1=O
InChIInChI=1S/C12H13NO2/c1-3-13-8-10-6-11(15-2)5-4-9(10)7-12(13)14/h4-8H,3H2,1-2H3
InChIKeyYAXBOMYMEFENAK-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.03
Rot. Bonds2

About 2-ethyl-7-methoxyisoquinolin-3-one

2-ethyl-7-methoxyisoquinolin-3-one (PubChem CID 134987185) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-ethyl-7-methoxyisoquinolin-3-one.

Molecular Properties

Compound Name2-ethyl-7-methoxyisoquinolin-3-one
PubChem CID134987185
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2-ethyl-7-methoxyisoquinolin-3-one
SMILESCCn1cc2cc(OC)ccc2cc1=O
InChIInChI=1S/C12H13NO2/c1-3-13-8-10-6-11(15-2)5-4-9(10)7-12(13)14/h4-8H,3H2,1-2H3
InChIKeyYAXBOMYMEFENAK-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-methoxyisoquinolin-3-one?
The IUPAC name of 2-ethyl-7-methoxyisoquinolin-3-one (CID 134987185) is 2-ethyl-7-methoxyisoquinolin-3-one.
What is the SMILES notation for 2-ethyl-7-methoxyisoquinolin-3-one?
The canonical SMILES for 2-ethyl-7-methoxyisoquinolin-3-one is CCn1cc2cc(OC)ccc2cc1=O.
What is the InChIKey of 2-ethyl-7-methoxyisoquinolin-3-one?
The InChIKey is YAXBOMYMEFENAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-3-13-8-10-6-11(15-2)5-4-9(10)7-12(13)14/h4-8H,3H2,1-2H3.
What are the key properties of 2-ethyl-7-methoxyisoquinolin-3-one?
2-ethyl-7-methoxyisoquinolin-3-one has a molecular weight of 203.24 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-methoxyisoquinolin-3-one is sourced from PubChem (CID 134987185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).