Name: Name:1,3(2H,4H)-Isoquinolinedione, 2-(2-methylphenyl)-
Brand: Angene
SKU: AG00044G
Rating: 90 (10 reviews)

1,3(2H,4H)-Isoquinolinedione, 2-(2-methylphenyl)-

CAS No.:

101273-81-8

Catalog Number:

AG00044G

Molecular Formula:

C16H13NO2

Molecular Weight:

251.2799

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Product Description

Catalog Number:

AG00044G

Chemical Name:

1,3(2H,4H)-Isoquinolinedione, 2-(2-methylphenyl)-

CAS Number:

101273-81-8

Molecular Formula:

C16H13NO2

Molecular Weight:

251.2799

MDL Number:

MFCD00629798

IUPAC Name:

2-(2-methylphenyl)-4H-isoquinoline-1,3-dione

InChI:

InChI=1S/C16H13NO2/c1-11-6-2-5-9-14(11)17-15(18)10-12-7-3-4-8-13(12)16(17)19/h2-9H,10H2,1H3

InChI Key:

REPHEHVXUKWHFV-UHFFFAOYSA-N

SMILES:

Cc1ccccc1N1C(=O)Cc2c(C1=O)cccc2

Properties

Complexity:

379

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

251.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

251.285g/mol

Monoisotopic Mass:

251.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Properties