benzoic acid;(8-hydroxyquinolin-5-yl)iminoazanide;zinc

C16H12N3O3Zn- — CID 174743616

IUPACbenzoic acid;(8-hydroxyquinolin-5-yl)iminoazanide;zinc
SMILESO=C(O)c1ccccc1.[N-]=Nc1ccc(O)c2ncccc12.[Zn]
InChIInChI=1S/C9H6N3O.C7H6O2.Zn/c10-12-7-3-4-8(13)9-6(7)2-1-5-11-9;8-7(9)6-4-2-1-3-5-6;/h1-5,13H;1-5H,(H,8,9);/q-1;;
InChIKeyXDYSTWIGRJVPJE-UHFFFAOYSA-N
MW359.68 g/mol
LogP3.98
Rot. Bonds2

About benzoic acid;(8-hydroxyquinolin-5-yl)iminoazanide;zinc

benzoic acid;(8-hydroxyquinolin-5-yl)iminoazanide;zinc (PubChem CID 174743616) has the molecular formula C16H12N3O3Zn- and a molecular weight of 359.68 g/mol. Its IUPAC name is benzoic acid;(8-hydroxyquinolin-5-yl)iminoazanide;zinc.

Molecular Properties

Compound Namebenzoic acid;(8-hydroxyquinolin-5-yl)iminoazanide;zinc
PubChem CID174743616
Molecular FormulaC16H12N3O3Zn-
Molecular Weight359.68 g/mol
Exact Mass358.02
IUPAC Namebenzoic acid;(8-hydroxyquinolin-5-yl)iminoazanide;zinc
SMILESO=C(O)c1ccccc1.[N-]=Nc1ccc(O)c2ncccc12.[Zn]
InChIInChI=1S/C9H6N3O.C7H6O2.Zn/c10-12-7-3-4-8(13)9-6(7)2-1-5-11-9;8-7(9)6-4-2-1-3-5-6;/h1-5,13H;1-5H,(H,8,9);/q-1;;
InChIKeyXDYSTWIGRJVPJE-UHFFFAOYSA-N
XLogP3.98
TPSA105.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.68
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

5-Nitroso-8-quinolinol
CID 19103
8-Quinolinol, benzoate (1:1)
CID 62626
5-Amino-8-hydroxyquinoline
CID 416002
8-Hydroxy-5-quinolinecarboxylic acid
CID 459617
8-Hydroxyquinoline-7-carboxylic Acid
CID 231363
3-Hydroxyquinoline-4-carboxylic acid
CID 8352
5-(4-Methylphenylazo)-8-hydroxyquinoline
CID 208719
5-(Phenylazo)-8-hydroxyquinoline
CID 199506
5-(4-Methoxyphenylazo)-8-hydroxyquinoline
CID 3794954
5-Amino-8-hydroxyquinoline dihydrochloride
CID 16211947
8-Hydroxyquinoline-4-carboxylic acid
CID 97394
5-(3-Hydroxyphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 57396761

Frequently Asked Questions

What is the IUPAC name of benzoic acid;(8-hydroxyquinolin-5-yl)iminoazanide;zinc?
The IUPAC name of benzoic acid;(8-hydroxyquinolin-5-yl)iminoazanide;zinc (CID 174743616) is benzoic acid;(8-hydroxyquinolin-5-yl)iminoazanide;zinc.
What is the SMILES notation for benzoic acid;(8-hydroxyquinolin-5-yl)iminoazanide;zinc?
The canonical SMILES for benzoic acid;(8-hydroxyquinolin-5-yl)iminoazanide;zinc is O=C(O)c1ccccc1.[N-]=Nc1ccc(O)c2ncccc12.[Zn].
What is the InChIKey of benzoic acid;(8-hydroxyquinolin-5-yl)iminoazanide;zinc?
The InChIKey is XDYSTWIGRJVPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N3O.C7H6O2.Zn/c10-12-7-3-4-8(13)9-6(7)2-1-5-11-9;8-7(9)6-4-2-1-3-5-6;/h1-5,13H;1-5H,(H,8,9);/q-1;;.
What are the key properties of benzoic acid;(8-hydroxyquinolin-5-yl)iminoazanide;zinc?
benzoic acid;(8-hydroxyquinolin-5-yl)iminoazanide;zinc has a molecular weight of 359.68 g/mol, XLogP of 3.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;(8-hydroxyquinolin-5-yl)iminoazanide;zinc is sourced from PubChem (CID 174743616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).