7-methoxy-3-(3-methoxyphenyl)-2H-isoquinolin-1-one

C17H15NO3 — CID 166631327

IUPAC7-methoxy-3-(3-methoxyphenyl)-2H-isoquinolin-1-one
SMILESCOc1cccc(-c2cc3ccc(OC)cc3c(=O)[nH]2)c1
InChIInChI=1S/C17H15NO3/c1-20-13-5-3-4-12(8-13)16-9-11-6-7-14(21-2)10-15(11)17(19)18-16/h3-10H,1-2H3,(H,18,19)
InChIKeyNYYYLELWWYGYMC-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.21
Rot. Bonds3

About 7-methoxy-3-(3-methoxyphenyl)-2H-isoquinolin-1-one

7-methoxy-3-(3-methoxyphenyl)-2H-isoquinolin-1-one (PubChem CID 166631327) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 7-methoxy-3-(3-methoxyphenyl)-2H-isoquinolin-1-one.

Molecular Properties

Compound Name7-methoxy-3-(3-methoxyphenyl)-2H-isoquinolin-1-one
PubChem CID166631327
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name7-methoxy-3-(3-methoxyphenyl)-2H-isoquinolin-1-one
SMILESCOc1cccc(-c2cc3ccc(OC)cc3c(=O)[nH]2)c1
InChIInChI=1S/C17H15NO3/c1-20-13-5-3-4-12(8-13)16-9-11-6-7-14(21-2)10-15(11)17(19)18-16/h3-10H,1-2H3,(H,18,19)
InChIKeyNYYYLELWWYGYMC-UHFFFAOYSA-N
XLogP3.21
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(3-methoxyphenyl)-2H-isoquinolin-1-one?
The IUPAC name of 7-methoxy-3-(3-methoxyphenyl)-2H-isoquinolin-1-one (CID 166631327) is 7-methoxy-3-(3-methoxyphenyl)-2H-isoquinolin-1-one.
What is the SMILES notation for 7-methoxy-3-(3-methoxyphenyl)-2H-isoquinolin-1-one?
The canonical SMILES for 7-methoxy-3-(3-methoxyphenyl)-2H-isoquinolin-1-one is COc1cccc(-c2cc3ccc(OC)cc3c(=O)[nH]2)c1.
What is the InChIKey of 7-methoxy-3-(3-methoxyphenyl)-2H-isoquinolin-1-one?
The InChIKey is NYYYLELWWYGYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-20-13-5-3-4-12(8-13)16-9-11-6-7-14(21-2)10-15(11)17(19)18-16/h3-10H,1-2H3,(H,18,19).
What are the key properties of 7-methoxy-3-(3-methoxyphenyl)-2H-isoquinolin-1-one?
7-methoxy-3-(3-methoxyphenyl)-2H-isoquinolin-1-one has a molecular weight of 281.31 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(3-methoxyphenyl)-2H-isoquinolin-1-one is sourced from PubChem (CID 166631327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).