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

C11H11NO3 — CID 71650431

IUPAC6,7-dimethoxy-7H-isoquinolin-1-one
SMILESCOC1=CC2=CC=NC(=O)C2=CC1OC
InChIInChI=1S/C11H11NO3/c1-14-9-5-7-3-4-12-11(13)8(7)6-10(9)15-2/h3-6,10H,1-2H3
InChIKeyLCAAKMZGBKSIQQ-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.01
Rot. Bonds2

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

6,7-dimethoxy-7H-isoquinolin-1-one (PubChem CID 71650431) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 6,7-dimethoxy-7H-isoquinolin-1-one.

Molecular Properties

Compound Name6,7-dimethoxy-7H-isoquinolin-1-one
PubChem CID71650431
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name6,7-dimethoxy-7H-isoquinolin-1-one
SMILESCOC1=CC2=CC=NC(=O)C2=CC1OC
InChIInChI=1S/C11H11NO3/c1-14-9-5-7-3-4-12-11(13)8(7)6-10(9)15-2/h3-6,10H,1-2H3
InChIKeyLCAAKMZGBKSIQQ-UHFFFAOYSA-N
XLogP1.01
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-7-methoxy-7H-isoquinolin-1-one
CID 178186256
7,8-Dimethoxy-3-benzazepin-2-one
CID 22462188
1aH-oxireno[2,3-h]isoquinolin-7-one
CID 175504478
5-methoxy-5H-isoquinolin-1-one
CID 45024331
6,7-dimethoxy-1-oxo-7H-isoquinoline-4-carbonitrile
CID 73861550

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-7H-isoquinolin-1-one?
The IUPAC name of 6,7-dimethoxy-7H-isoquinolin-1-one (CID 71650431) is 6,7-dimethoxy-7H-isoquinolin-1-one.
What is the SMILES notation for 6,7-dimethoxy-7H-isoquinolin-1-one?
The canonical SMILES for 6,7-dimethoxy-7H-isoquinolin-1-one is COC1=CC2=CC=NC(=O)C2=CC1OC.
What is the InChIKey of 6,7-dimethoxy-7H-isoquinolin-1-one?
The InChIKey is LCAAKMZGBKSIQQ-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/h3-6,10H,1-2H3.
What are the key properties of 6,7-dimethoxy-7H-isoquinolin-1-one?
6,7-dimethoxy-7H-isoquinolin-1-one has a molecular weight of 205.21 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-7H-isoquinolin-1-one is sourced from PubChem (CID 71650431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).