8-azido-5,6,7,8-tetrahydroquinoline

C9H10N4 — CID 22708769

IUPAC8-azido-5,6,7,8-tetrahydroquinoline
SMILES[N-]=[N+]=NC1CCCc2cccnc21
InChIInChI=1S/C9H10N4/c10-13-12-8-5-1-3-7-4-2-6-11-9(7)8/h2,4,6,8H,1,3,5H2
InChIKeyOHRZQMSCHXLGEU-UHFFFAOYSA-N
MW174.21 g/mol
LogP2.77
Rot. Bonds1

About 8-azido-5,6,7,8-tetrahydroquinoline

8-azido-5,6,7,8-tetrahydroquinoline (PubChem CID 22708769) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 8-azido-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name8-azido-5,6,7,8-tetrahydroquinoline
PubChem CID22708769
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name8-azido-5,6,7,8-tetrahydroquinoline
SMILES[N-]=[N+]=NC1CCCc2cccnc21
InChIInChI=1S/C9H10N4/c10-13-12-8-5-1-3-7-4-2-6-11-9(7)8/h2,4,6,8H,1,3,5H2
InChIKeyOHRZQMSCHXLGEU-UHFFFAOYSA-N
XLogP2.77
TPSA61.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 52.77
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

(8S)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 164583093
(8R)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 162400504
(8S)-5,6,7,8-tetrahydroquinolin-8-ol
CID 11480532
(8S)-5,6,7,8-tetrahydroquinolin-8-amine
CID 12031071
trimethyl(5,6,7,8-tetrahydroquinolin-8-yl)silane
CID 130535889
1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79739208
(8S)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 58985331
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
N-fluoro-5,6,7,8-tetrahydroquinolin-8-amine
CID 145471491
phenyl(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79739489
N-(cyclopentylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079348
2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid
CID 130855424

Frequently Asked Questions

What is the IUPAC name of 8-azido-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 8-azido-5,6,7,8-tetrahydroquinoline (CID 22708769) is 8-azido-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 8-azido-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 8-azido-5,6,7,8-tetrahydroquinoline is [N-]=[N+]=NC1CCCc2cccnc21.
What is the InChIKey of 8-azido-5,6,7,8-tetrahydroquinoline?
The InChIKey is OHRZQMSCHXLGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c10-13-12-8-5-1-3-7-4-2-6-11-9(7)8/h2,4,6,8H,1,3,5H2.
What are the key properties of 8-azido-5,6,7,8-tetrahydroquinoline?
8-azido-5,6,7,8-tetrahydroquinoline has a molecular weight of 174.21 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azido-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 22708769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).