6,7-dimethoxy-2H-isoquinolin-1-one

C11H11NO3 — CID 3312489

IUPAC6,7-dimethoxy-2H-isoquinolin-1-one
SMILESCOc1cc2cc[nH]c(=O)c2cc1OC
InChIInChI=1S/C11H11NO3/c1-14-9-5-7-3-4-12-11(13)8(7)6-10(9)15-2/h3-6H,1-2H3,(H,12,13)
InChIKeyRSCNYUAUZAUCBZ-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.55
Rot. Bonds2

About 6,7-dimethoxy-2H-isoquinolin-1-one

6,7-dimethoxy-2H-isoquinolin-1-one (PubChem CID 3312489) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 6,7-dimethoxy-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6,7-dimethoxy-2H-isoquinolin-1-one
PubChem CID3312489
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name6,7-dimethoxy-2H-isoquinolin-1-one
SMILESCOc1cc2cc[nH]c(=O)c2cc1OC
InChIInChI=1S/C11H11NO3/c1-14-9-5-7-3-4-12-11(13)8(7)6-10(9)15-2/h3-6H,1-2H3,(H,12,13)
InChIKeyRSCNYUAUZAUCBZ-UHFFFAOYSA-N
XLogP1.55
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2H-isoquinolin-1-one?
The IUPAC name of 6,7-dimethoxy-2H-isoquinolin-1-one (CID 3312489) is 6,7-dimethoxy-2H-isoquinolin-1-one.
What is the SMILES notation for 6,7-dimethoxy-2H-isoquinolin-1-one?
The canonical SMILES for 6,7-dimethoxy-2H-isoquinolin-1-one is COc1cc2cc[nH]c(=O)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2H-isoquinolin-1-one?
The InChIKey is RSCNYUAUZAUCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-14-9-5-7-3-4-12-11(13)8(7)6-10(9)15-2/h3-6H,1-2H3,(H,12,13).
What are the key properties of 6,7-dimethoxy-2H-isoquinolin-1-one?
6,7-dimethoxy-2H-isoquinolin-1-one has a molecular weight of 205.21 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2H-isoquinolin-1-one is sourced from PubChem (CID 3312489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).