3-(3-methoxyphenyl)-5-methyl-2H-isoquinolin-1-one

C17H15NO2 — CID 142740971

IUPAC3-(3-methoxyphenyl)-5-methyl-2H-isoquinolin-1-one
SMILESCOc1cccc(-c2cc3c(C)cccc3c(=O)[nH]2)c1
InChIInChI=1S/C17H15NO2/c1-11-5-3-8-14-15(11)10-16(18-17(14)19)12-6-4-7-13(9-12)20-2/h3-10H,1-2H3,(H,18,19)
InChIKeyJIMMWBVXUWJAGM-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.51
Rot. Bonds2

About 3-(3-methoxyphenyl)-5-methyl-2H-isoquinolin-1-one

3-(3-methoxyphenyl)-5-methyl-2H-isoquinolin-1-one (PubChem CID 142740971) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-5-methyl-2H-isoquinolin-1-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-5-methyl-2H-isoquinolin-1-one
PubChem CID142740971
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name3-(3-methoxyphenyl)-5-methyl-2H-isoquinolin-1-one
SMILESCOc1cccc(-c2cc3c(C)cccc3c(=O)[nH]2)c1
InChIInChI=1S/C17H15NO2/c1-11-5-3-8-14-15(11)10-16(18-17(14)19)12-6-4-7-13(9-12)20-2/h3-10H,1-2H3,(H,18,19)
InChIKeyJIMMWBVXUWJAGM-UHFFFAOYSA-N
XLogP3.51
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-methoxyphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135836115
6-(3-methoxyphenyl)-4-phenyl-1H-pyridin-2-one
CID 10062054
2-(3-methoxyphenyl)-7-methyl-1H-1,8-naphthyridin-4-one
CID 5468698
ethyl 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66490254
2-(3-methoxyphenyl)-3H-quinazolin-4-one
CID 135486399
methyl 5-methyl-1-oxo-2H-isoquinoline-3-carboxylate
CID 114517663
3-(2-methoxyphenyl)-4-(3-methoxyphenyl)-2H-isoquinolin-1-one
CID 142740491
6-(3-methoxyphenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
CID 1472841
6-methoxy-2-(3-methoxyphenyl)-3-methyl-1H-indole
CID 13408302
6-fluoro-2-(3-methoxyphenyl)-1H-quinolin-4-one
CID 22481024
3-(3-methoxyphenyl)-2H-pyrido[1,2-a]pyrazin-5-ium-1-one
CID 171984010
5-methyl-3-[4-(piperidin-1-ylmethyl)phenyl]-2H-isoquinolin-1-one
CID 71736446

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-5-methyl-2H-isoquinolin-1-one?
The IUPAC name of 3-(3-methoxyphenyl)-5-methyl-2H-isoquinolin-1-one (CID 142740971) is 3-(3-methoxyphenyl)-5-methyl-2H-isoquinolin-1-one.
What is the SMILES notation for 3-(3-methoxyphenyl)-5-methyl-2H-isoquinolin-1-one?
The canonical SMILES for 3-(3-methoxyphenyl)-5-methyl-2H-isoquinolin-1-one is COc1cccc(-c2cc3c(C)cccc3c(=O)[nH]2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-5-methyl-2H-isoquinolin-1-one?
The InChIKey is JIMMWBVXUWJAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-11-5-3-8-14-15(11)10-16(18-17(14)19)12-6-4-7-13(9-12)20-2/h3-10H,1-2H3,(H,18,19).
What are the key properties of 3-(3-methoxyphenyl)-5-methyl-2H-isoquinolin-1-one?
3-(3-methoxyphenyl)-5-methyl-2H-isoquinolin-1-one has a molecular weight of 265.31 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-5-methyl-2H-isoquinolin-1-one is sourced from PubChem (CID 142740971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).