5-methoxy-5H-isoquinolin-1-one

C10H9NO2 — CID 45024331

IUPAC5-methoxy-5H-isoquinolin-1-one
SMILESCOC1C=CC=C2C(=O)N=CC=C21
InChIInChI=1S/C10H9NO2/c1-13-9-4-2-3-8-7(9)5-6-11-10(8)12/h2-6,9H,1H3
InChIKeyNLXVHBZUOKRAAY-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.03
Rot. Bonds1

About 5-methoxy-5H-isoquinolin-1-one

5-methoxy-5H-isoquinolin-1-one (PubChem CID 45024331) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 5-methoxy-5H-isoquinolin-1-one.

Molecular Properties

Compound Name5-methoxy-5H-isoquinolin-1-one
PubChem CID45024331
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name5-methoxy-5H-isoquinolin-1-one
SMILESCOC1C=CC=C2C(=O)N=CC=C21
InChIInChI=1S/C10H9NO2/c1-13-9-4-2-3-8-7(9)5-6-11-10(8)12/h2-6,9H,1H3
InChIKeyNLXVHBZUOKRAAY-UHFFFAOYSA-N
XLogP1.03
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-7-methoxy-7H-isoquinolin-1-one
CID 178186256
6,7-dimethoxy-7H-isoquinolin-1-one
CID 71650431
ethyl 2-[(1-oxo-5H-isoquinolin-5-yl)oxy]propanoate
CID 74075240
methyl 2-[(1-oxo-5H-isoquinolin-5-yl)oxy]propanoate
CID 167999200

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5H-isoquinolin-1-one?
The IUPAC name of 5-methoxy-5H-isoquinolin-1-one (CID 45024331) is 5-methoxy-5H-isoquinolin-1-one.
What is the SMILES notation for 5-methoxy-5H-isoquinolin-1-one?
The canonical SMILES for 5-methoxy-5H-isoquinolin-1-one is COC1C=CC=C2C(=O)N=CC=C21.
What is the InChIKey of 5-methoxy-5H-isoquinolin-1-one?
The InChIKey is NLXVHBZUOKRAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-13-9-4-2-3-8-7(9)5-6-11-10(8)12/h2-6,9H,1H3.
What are the key properties of 5-methoxy-5H-isoquinolin-1-one?
5-methoxy-5H-isoquinolin-1-one has a molecular weight of 175.19 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5H-isoquinolin-1-one is sourced from PubChem (CID 45024331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).