(8-hydroxyquinolin-5-yl) cyanate;5-isocyanatoquinolin-8-ol;zinc

C20H12N4O4Zn — CID 58233087

IUPAC(8-hydroxyquinolin-5-yl) cyanate;5-isocyanatoquinolin-8-ol;zinc
SMILESN#COc1ccc(O)c2ncccc12.O=C=Nc1ccc(O)c2ncccc12.[Zn]
InChIInChI=1S/2C10H6N2O2.Zn/c11-6-14-9-4-3-8(13)10-7(9)2-1-5-12-10;13-6-12-8-3-4-9(14)10-7(8)2-1-5-11-10;/h1-5,13H;1-5,14H;
InChIKeyTWKQMWDVPFNFTR-UHFFFAOYSA-N
MW437.73 g/mol
LogP3.71
Rot. Bonds2

About (8-hydroxyquinolin-5-yl) cyanate;5-isocyanatoquinolin-8-ol;zinc

(8-hydroxyquinolin-5-yl) cyanate;5-isocyanatoquinolin-8-ol;zinc (PubChem CID 58233087) has the molecular formula C20H12N4O4Zn and a molecular weight of 437.73 g/mol. Its IUPAC name is (8-hydroxyquinolin-5-yl) cyanate;5-isocyanatoquinolin-8-ol;zinc.

Molecular Properties

Compound Name(8-hydroxyquinolin-5-yl) cyanate;5-isocyanatoquinolin-8-ol;zinc
PubChem CID58233087
Molecular FormulaC20H12N4O4Zn
Molecular Weight437.73 g/mol
Exact Mass436.01
IUPAC Name(8-hydroxyquinolin-5-yl) cyanate;5-isocyanatoquinolin-8-ol;zinc
SMILESN#COc1ccc(O)c2ncccc12.O=C=Nc1ccc(O)c2ncccc12.[Zn]
InChIInChI=1S/2C10H6N2O2.Zn/c11-6-14-9-4-3-8(13)10-7(9)2-1-5-12-10;13-6-12-8-3-4-9(14)10-7(8)2-1-5-11-10;/h1-5,13H;1-5,14H;
InChIKeyTWKQMWDVPFNFTR-UHFFFAOYSA-N
XLogP3.71
TPSA128.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.73
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

Analyze (8-hydroxyquinolin-5-yl) cyanate;5-isocyanatoquinolin-8-ol;zinc with MolForge

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Related Compounds

(5E)-5-[(3-methoxyphenyl)hydrazinylidene]quinolin-8-one
CID 4432459
Sodium 5-[(6-methoxyquinolin-8-yl)diazenyl]quinolin-8-ol
CID 135436503
6,9-Dimethoxy-4-methyl-1-phenylpyrrolo[3,2-c]quinoline
CID 11347703
(5E)-5-{2-[3-(difluoromethoxy)phenyl]hydrazinylidene}quinolin-8(5H)-one
CID 4687081
Bis(5-isocyanatoquinolin-8-ol);ZINC
CID 57548851
Bis((8-hydroxyquinolin-5-yl) prop-2-enoate);ZINC
CID 57548863
[8-Bis[(5-isocyanato-7-methylquinolin-8-yl)oxy]alumanyloxy-7-methylquinolin-5-yl] cyanate
CID 58233081
Bis(quinoline-5,8-diol);ZINC
CID 136117490
7-[2-(5-hydroxy-1H-indol-3-yl)ethylideneamino]quinoline-5,8-diol
CID 137100646
7-[2-(2-Methoxyphenyl)ethylideneamino]quinoline-5,8-diol
CID 137147798
7-[2-(5-methoxy-1H-indol-3-yl)ethylideneamino]quinoline-5,8-diol
CID 137174011
N-(8-hydroxyquinolin-7-yl)-N-(3-methoxyphenyl)formamide
CID 141211393

Frequently Asked Questions

What is the IUPAC name of (8-hydroxyquinolin-5-yl) cyanate;5-isocyanatoquinolin-8-ol;zinc?
The IUPAC name of (8-hydroxyquinolin-5-yl) cyanate;5-isocyanatoquinolin-8-ol;zinc (CID 58233087) is (8-hydroxyquinolin-5-yl) cyanate;5-isocyanatoquinolin-8-ol;zinc.
What is the SMILES notation for (8-hydroxyquinolin-5-yl) cyanate;5-isocyanatoquinolin-8-ol;zinc?
The canonical SMILES for (8-hydroxyquinolin-5-yl) cyanate;5-isocyanatoquinolin-8-ol;zinc is N#COc1ccc(O)c2ncccc12.O=C=Nc1ccc(O)c2ncccc12.[Zn].
What is the InChIKey of (8-hydroxyquinolin-5-yl) cyanate;5-isocyanatoquinolin-8-ol;zinc?
The InChIKey is TWKQMWDVPFNFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H6N2O2.Zn/c11-6-14-9-4-3-8(13)10-7(9)2-1-5-12-10;13-6-12-8-3-4-9(14)10-7(8)2-1-5-11-10;/h1-5,13H;1-5,14H;.
What are the key properties of (8-hydroxyquinolin-5-yl) cyanate;5-isocyanatoquinolin-8-ol;zinc?
(8-hydroxyquinolin-5-yl) cyanate;5-isocyanatoquinolin-8-ol;zinc has a molecular weight of 437.73 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (8-hydroxyquinolin-5-yl) cyanate;5-isocyanatoquinolin-8-ol;zinc is sourced from PubChem (CID 58233087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).