Name: Name:2-Amino-4-hydroxyquinoline hydrate
Brand: Angene
SKU: AG003GK4
Rating: 90 (10 reviews)

2-Amino-4-hydroxyquinoline hydrate

CAS No.:

42712-64-1

Catalog Number:

AG003GK4

Molecular Formula:

C9H8N2O

Molecular Weight:

160.1726

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Product Description

Catalog Number:

AG003GK4

Chemical Name:

2-Amino-4-hydroxyquinoline hydrate

CAS Number:

42712-64-1

Molecular Formula:

C9H8N2O

Molecular Weight:

160.1726

MDL Number:

MFCD11656651

IUPAC Name:

2-amino-1H-quinolin-4-one

InChI:

InChI=1S/C9H8N2O/c10-9-5-8(12)6-3-1-2-4-7(6)11-9/h1-5H,(H3,10,11,12)

InChI Key:

LWGUCIXHBVVATR-UHFFFAOYSA-N

SMILES:

Nc1cc(=O)c2c([nH]1)cccc2

Properties

Complexity:

235

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

160.064g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

160.176g/mol

Monoisotopic Mass:

160.064g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1

Literature

Title	Journal
Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase.	Journal of medicinal chemistry 20110113

Properties