Name: Name:1-Oxo-1,2-dihydroisoquinoline-5-carboxylic acid
Brand: Angene
SKU: AG007ONG
Rating: 90 (10 reviews)

1-Oxo-1,2-dihydroisoquinoline-5-carboxylic acid

CAS No.:

212374-18-0

Catalog Number:

AG007ONG

Molecular Formula:

C10H7NO3

Molecular Weight:

189.1675

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Product Description

Catalog Number:

AG007ONG

Chemical Name:

1-Oxo-1,2-dihydroisoquinoline-5-carboxylic acid

CAS Number:

212374-18-0

Molecular Formula:

C10H7NO3

Molecular Weight:

189.1675

MDL Number:

MFCD12913699

IUPAC Name:

1-oxo-2H-isoquinoline-5-carboxylic acid

InChI:

InChI=1S/C10H7NO3/c12-9-7-2-1-3-8(10(13)14)6(7)4-5-11-9/h1-5H,(H,11,12)(H,13,14)

InChI Key:

MLQUDHWCGDWPDJ-UHFFFAOYSA-N

SMILES:

OC(=O)c1cccc2c1cc[nH]c2=O

Properties

Complexity:

298

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

189.043g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

189.17g/mol

Monoisotopic Mass:

189.043g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9

Literature

Title	Journal
5-Benzamidoisoquinolin-1-ones and 5-(ω-carboxyalkyl)isoquinolin-1-ones as isoform-selective inhibitors of poly(ADP-ribose) polymerase 2 (PARP-2).	Journal of medicinal chemistry 20110414

Properties