8-azidoquinoline

C9H6N4 — CID 11321201

IUPAC8-azidoquinoline
SMILES[N-]=[N+]=Nc1cccc2cccnc12
InChIInChI=1S/C9H6N4/c10-13-12-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H
InChIKeyKEOFCEHKLBDSDN-UHFFFAOYSA-N
MW170.18 g/mol
LogP3.18
Rot. Bonds1

About 8-azidoquinoline

8-azidoquinoline (PubChem CID 11321201) has the molecular formula C9H6N4 and a molecular weight of 170.18 g/mol. Its IUPAC name is 8-azidoquinoline.

Molecular Properties

Compound Name8-azidoquinoline
PubChem CID11321201
Molecular FormulaC9H6N4
Molecular Weight170.18 g/mol
Exact Mass170.06
IUPAC Name8-azidoquinoline
SMILES[N-]=[N+]=Nc1cccc2cccnc12
InChIInChI=1S/C9H6N4/c10-13-12-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H
InChIKeyKEOFCEHKLBDSDN-UHFFFAOYSA-N
XLogP3.18
TPSA61.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

8-(2-azidoethoxy)quinoline
CID 55137163
8-(3-azidopropoxy)quinoline
CID 61396496
1-pyridin-2-yl-N-quinolin-8-ylmethanimine
CID 15764078
quinoline-8-selenol
CID 101467585
1-hydroxy-2-quinolin-8-ylguanidine
CID 62484126
7-azido-3-iodo-2H-indazole
CID 151416328
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
1,10-phenanthroline;samarium
CID 174616745
CID 58385596
CID 58385596
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
bis(1,10-phenanthroline);ruthenium
CID 15001085

Frequently Asked Questions

What is the IUPAC name of 8-azidoquinoline?
The IUPAC name of 8-azidoquinoline (CID 11321201) is 8-azidoquinoline.
What is the SMILES notation for 8-azidoquinoline?
The canonical SMILES for 8-azidoquinoline is [N-]=[N+]=Nc1cccc2cccnc12.
What is the InChIKey of 8-azidoquinoline?
The InChIKey is KEOFCEHKLBDSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4/c10-13-12-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H.
What are the key properties of 8-azidoquinoline?
8-azidoquinoline has a molecular weight of 170.18 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azidoquinoline is sourced from PubChem (CID 11321201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).