Name: Name:1,3(2H,4H)-Isoquinolinedione,2-amino-
Brand: Angene
SKU: AG007P8R
Rating: 90 (10 reviews)

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

CAS No.:

22177-46-4

Catalog Number:

AG007P8R

Molecular Formula:

C9H8N2O2

Molecular Weight:

176.1720

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Product Description

Catalog Number:

AG007P8R

Chemical Name:

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

CAS Number:

22177-46-4

Molecular Formula:

C9H8N2O2

Molecular Weight:

176.1720

MDL Number:

MFCD01928802

IUPAC Name:

2-amino-4H-isoquinoline-1,3-dione

InChI:

InChI=1S/C9H8N2O2/c10-11-8(12)5-6-3-1-2-4-7(6)9(11)13/h1-4H,5,10H2

InChI Key:

LBNIVJQTSUZBGG-UHFFFAOYSA-N

SMILES:

O=C1Cc2ccccc2C(=O)N1N

UNII:

1IYV36MFF1

NSC Number:

110333

Properties

Complexity:

252

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

176.059g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

176.175g/mol

Monoisotopic Mass:

176.059g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.1

Literature

Title	Journal
Use of a pharmacophore model to discover a new class of influenza endonuclease inhibitors.	Journal of medicinal chemistry 20030327

Properties