Name: Name:3-(trimethoxymethyl)-1,2-dihydroisoquinolin-1-one
Brand: Angene
SKU: AG019OED
Rating: 90 (10 reviews)

3-(trimethoxymethyl)-1,2-dihydroisoquinolin-1-one

CAS No.:

847783-41-9

Catalog Number:

AG019OED

Molecular Formula:

C13H15NO4

Molecular Weight:

249.2625

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Product Description

Catalog Number:

AG019OED

Chemical Name:

3-(trimethoxymethyl)-1,2-dihydroisoquinolin-1-one

CAS Number:

847783-41-9

Molecular Formula:

C13H15NO4

Molecular Weight:

249.2625

MDL Number:

MFCD07310895

IUPAC Name:

3-(trimethoxymethyl)-2H-isoquinolin-1-one

InChI:

InChI=1S/C13H15NO4/c1-16-13(17-2,18-3)11-8-9-6-4-5-7-10(9)12(15)14-11/h4-8H,1-3H3,(H,14,15)

InChI Key:

NQBRJQFNQDAFOV-UHFFFAOYSA-N

SMILES:

COC(c1cc2ccccc2c(=O)[nH]1)(OC)OC

Properties

Complexity:

341

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

249.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

249.266g/mol

Monoisotopic Mass:

249.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

56.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101