3-(4-methoxyphenyl)-2-methylisoquinolin-1-one

C17H15NO2 — CID 1233900

IUPAC3-(4-methoxyphenyl)-2-methylisoquinolin-1-one
SMILESCOc1ccc(-c2cc3ccccc3c(=O)n2C)cc1
InChIInChI=1S/C17H15NO2/c1-18-16(12-7-9-14(20-2)10-8-12)11-13-5-3-4-6-15(13)17(18)19/h3-11H,1-2H3
InChIKeyZSANMVCMZBBUNQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.21
Rot. Bonds2

About 3-(4-methoxyphenyl)-2-methylisoquinolin-1-one

3-(4-methoxyphenyl)-2-methylisoquinolin-1-one (PubChem CID 1233900) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-methylisoquinolin-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-methylisoquinolin-1-one
PubChem CID1233900
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name3-(4-methoxyphenyl)-2-methylisoquinolin-1-one
SMILESCOc1ccc(-c2cc3ccccc3c(=O)n2C)cc1
InChIInChI=1S/C17H15NO2/c1-18-16(12-7-9-14(20-2)10-8-12)11-13-5-3-4-6-15(13)17(18)19/h3-11H,1-2H3
InChIKeyZSANMVCMZBBUNQ-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 3-(4-methoxyphenyl)-2-methylisoquinolin-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-2-methylisoquinolin-1-one (CID 1233900) is 3-(4-methoxyphenyl)-2-methylisoquinolin-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-methylisoquinolin-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-2-methylisoquinolin-1-one is COc1ccc(-c2cc3ccccc3c(=O)n2C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-methylisoquinolin-1-one?
The InChIKey is ZSANMVCMZBBUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-18-16(12-7-9-14(20-2)10-8-12)11-13-5-3-4-6-15(13)17(18)19/h3-11H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-2-methylisoquinolin-1-one?
3-(4-methoxyphenyl)-2-methylisoquinolin-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 3-(4-methoxyphenyl)-2-methylisoquinolin-1-one is sourced from PubChem (CID 1233900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).