Name: Name:3-Isoquinolinecarboxylic acid, 1,2-dihydro-2-methyl-1-oxo-
Brand: Angene
SKU: AG003Z06
Rating: 90 (10 reviews)

3-Isoquinolinecarboxylic acid, 1,2-dihydro-2-methyl-1-oxo-

CAS No.:

89806-32-6

Catalog Number:

AG003Z06

Molecular Formula:

C11H9NO3

Molecular Weight:

203.1941

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Product Description

Catalog Number:

AG003Z06

Chemical Name:

3-Isoquinolinecarboxylic acid, 1,2-dihydro-2-methyl-1-oxo-

CAS Number:

89806-32-6

Molecular Formula:

C11H9NO3

Molecular Weight:

203.1941

MDL Number:

MFCD06368805

IUPAC Name:

2-methyl-1-oxoisoquinoline-3-carboxylic acid

InChI:

InChI=1S/C11H9NO3/c1-12-9(11(14)15)6-7-4-2-3-5-8(7)10(12)13/h2-6H,1H3,(H,14,15)

InChI Key:

KUTOFSHPQXLKGS-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc2ccccc2c(=O)n1C

Properties

Complexity:

335

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

203.058g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

203.197g/mol

Monoisotopic Mass:

203.058g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3

Literature

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