2-benzyl-8-methoxyisoquinolin-1-one

C17H15NO2 — CID 127037097

IUPAC2-benzyl-8-methoxyisoquinolin-1-one
SMILESCOc1cccc2ccn(Cc3ccccc3)c(=O)c12
InChIInChI=1S/C17H15NO2/c1-20-15-9-5-8-14-10-11-18(17(19)16(14)15)12-13-6-3-2-4-7-13/h2-11H,12H2,1H3
InChIKeyPKGALDZENLLOOM-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.06
Rot. Bonds3

About 2-benzyl-8-methoxyisoquinolin-1-one

2-benzyl-8-methoxyisoquinolin-1-one (PubChem CID 127037097) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-benzyl-8-methoxyisoquinolin-1-one.

Molecular Properties

Compound Name2-benzyl-8-methoxyisoquinolin-1-one
PubChem CID127037097
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name2-benzyl-8-methoxyisoquinolin-1-one
SMILESCOc1cccc2ccn(Cc3ccccc3)c(=O)c12
InChIInChI=1S/C17H15NO2/c1-20-15-9-5-8-14-10-11-18(17(19)16(14)15)12-13-6-3-2-4-7-13/h2-11H,12H2,1H3
InChIKeyPKGALDZENLLOOM-UHFFFAOYSA-N
XLogP3.06
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 808577
8-Oxopalmatine
CID 10926678
5-(2-oxo-2-phenylethoxy)isoquinolin-1(2H)-one
CID 25015515
2-Methoxy-N-(3-methyl-2-phenyl-butyl)-benzamide
CID 44270882
5-methoxy-3-(4-methylphenyl)-2H-isoquinolin-1-one
CID 76284556
N-[2-(3,4-dimethylphenoxy)ethyl]-2-methoxybenzamide
CID 2252719
5-[(4-Fluorophenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one
CID 2151914
[4-(2-Methoxyphenyl)piperidin-1-yl]-phenylmethanone
CID 2802386
2-(5-Methyl-4-oxo-2H-1,3-benzoxazin-3(4H)-yl)ethyl nitrate
CID 584209
2-Methoxy-N-(phenylmethyl)benzamide
CID 700577
2-Methoxy-N,N-dimethylbenzamide
CID 11159646
1-[(2,5-Dimethoxyphenyl)methyl]-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-YL]urea
CID 16023482

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-8-methoxyisoquinolin-1-one?
The IUPAC name of 2-benzyl-8-methoxyisoquinolin-1-one (CID 127037097) is 2-benzyl-8-methoxyisoquinolin-1-one.
What is the SMILES notation for 2-benzyl-8-methoxyisoquinolin-1-one?
The canonical SMILES for 2-benzyl-8-methoxyisoquinolin-1-one is COc1cccc2ccn(Cc3ccccc3)c(=O)c12.
What is the InChIKey of 2-benzyl-8-methoxyisoquinolin-1-one?
The InChIKey is PKGALDZENLLOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-20-15-9-5-8-14-10-11-18(17(19)16(14)15)12-13-6-3-2-4-7-13/h2-11H,12H2,1H3.
What are the key properties of 2-benzyl-8-methoxyisoquinolin-1-one?
2-benzyl-8-methoxyisoquinolin-1-one has a molecular weight of 265.31 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-8-methoxyisoquinolin-1-one is sourced from PubChem (CID 127037097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).