8-methoxy-8aH-isoquinolin-1-one

C10H9NO2 — CID 73187982

IUPAC8-methoxy-8aH-isoquinolin-1-one
SMILESCOC1=CC=CC2=CC=NC(=O)C21
InChIInChI=1S/C10H9NO2/c1-13-8-4-2-3-7-5-6-11-10(12)9(7)8/h2-6,9H,1H3
InChIKeyPDCSOFBBAPFYIN-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.24
Rot. Bonds1

About 8-methoxy-8aH-isoquinolin-1-one

8-methoxy-8aH-isoquinolin-1-one (PubChem CID 73187982) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 8-methoxy-8aH-isoquinolin-1-one.

Molecular Properties

Compound Name8-methoxy-8aH-isoquinolin-1-one
PubChem CID73187982
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name8-methoxy-8aH-isoquinolin-1-one
SMILESCOC1=CC=CC2=CC=NC(=O)C21
InChIInChI=1S/C10H9NO2/c1-13-8-4-2-3-7-5-6-11-10(12)9(7)8/h2-6,9H,1H3
InChIKeyPDCSOFBBAPFYIN-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-4-methoxy-8aH-isoquinolin-1-one
CID 123850935
8-(trifluoromethoxy)-8aH-isoquinolin-1-one
CID 168006177
ethane;4-methoxy-8aH-isoquinolin-1-one
CID 91090244
7-chloro-4-methoxy-8aH-isoquinolin-1-one
CID 123277449
6-methoxy-8aH-isoquinolin-1-one
CID 71303980
7-methoxy-8aH-isoquinolin-1-one
CID 71304048
4-methoxy-3-(3-methylbut-2-enyl)-3H-quinolin-2-one
CID 85093113
4-methoxy-8aH-isoquinolin-1-one
CID 91090245

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-8aH-isoquinolin-1-one?
The IUPAC name of 8-methoxy-8aH-isoquinolin-1-one (CID 73187982) is 8-methoxy-8aH-isoquinolin-1-one.
What is the SMILES notation for 8-methoxy-8aH-isoquinolin-1-one?
The canonical SMILES for 8-methoxy-8aH-isoquinolin-1-one is COC1=CC=CC2=CC=NC(=O)C21.
What is the InChIKey of 8-methoxy-8aH-isoquinolin-1-one?
The InChIKey is PDCSOFBBAPFYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-13-8-4-2-3-7-5-6-11-10(12)9(7)8/h2-6,9H,1H3.
What are the key properties of 8-methoxy-8aH-isoquinolin-1-one?
8-methoxy-8aH-isoquinolin-1-one has a molecular weight of 175.19 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-8aH-isoquinolin-1-one is sourced from PubChem (CID 73187982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).