7-methoxy-2-methyl-3-phenylisoquinolin-1-one

C17H15NO2 — CID 12931131

IUPAC7-methoxy-2-methyl-3-phenylisoquinolin-1-one
SMILESCOc1ccc2cc(-c3ccccc3)n(C)c(=O)c2c1
InChIInChI=1S/C17H15NO2/c1-18-16(12-6-4-3-5-7-12)10-13-8-9-14(20-2)11-15(13)17(18)19/h3-11H,1-2H3
InChIKeyMMXOENXVHVXNEY-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.21
Rot. Bonds2

About 7-methoxy-2-methyl-3-phenylisoquinolin-1-one

7-methoxy-2-methyl-3-phenylisoquinolin-1-one (PubChem CID 12931131) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 7-methoxy-2-methyl-3-phenylisoquinolin-1-one.

Molecular Properties

Compound Name7-methoxy-2-methyl-3-phenylisoquinolin-1-one
PubChem CID12931131
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name7-methoxy-2-methyl-3-phenylisoquinolin-1-one
SMILESCOc1ccc2cc(-c3ccccc3)n(C)c(=O)c2c1
InChIInChI=1S/C17H15NO2/c1-18-16(12-6-4-3-5-7-12)10-13-8-9-14(20-2)11-15(13)17(18)19/h3-11H,1-2H3
InChIKeyMMXOENXVHVXNEY-UHFFFAOYSA-N
XLogP3.21
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-3-phenylisoquinolin-1-one?
The IUPAC name of 7-methoxy-2-methyl-3-phenylisoquinolin-1-one (CID 12931131) is 7-methoxy-2-methyl-3-phenylisoquinolin-1-one.
What is the SMILES notation for 7-methoxy-2-methyl-3-phenylisoquinolin-1-one?
The canonical SMILES for 7-methoxy-2-methyl-3-phenylisoquinolin-1-one is COc1ccc2cc(-c3ccccc3)n(C)c(=O)c2c1.
What is the InChIKey of 7-methoxy-2-methyl-3-phenylisoquinolin-1-one?
The InChIKey is MMXOENXVHVXNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-18-16(12-6-4-3-5-7-12)10-13-8-9-14(20-2)11-15(13)17(18)19/h3-11H,1-2H3.
What are the key properties of 7-methoxy-2-methyl-3-phenylisoquinolin-1-one?
7-methoxy-2-methyl-3-phenylisoquinolin-1-one has a molecular weight of 265.31 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-3-phenylisoquinolin-1-one is sourced from PubChem (CID 12931131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).