8-(3-azidopropoxy)quinoline

C12H12N4O — CID 61396496

IUPAC8-(3-azidopropoxy)quinoline
SMILES[N-]=[N+]=NCCCOc1cccc2cccnc12
InChIInChI=1S/C12H12N4O/c13-16-15-8-3-9-17-11-6-1-4-10-5-2-7-14-12(10)11/h1-2,4-7H,3,8-9H2
InChIKeyXBBGTBABTLYICR-UHFFFAOYSA-N
MW228.26 g/mol
LogP3.31
Rot. Bonds5

About 8-(3-azidopropoxy)quinoline

8-(3-azidopropoxy)quinoline (PubChem CID 61396496) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is 8-(3-azidopropoxy)quinoline.

Molecular Properties

Compound Name8-(3-azidopropoxy)quinoline
PubChem CID61396496
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC Name8-(3-azidopropoxy)quinoline
SMILES[N-]=[N+]=NCCCOc1cccc2cccnc12
InChIInChI=1S/C12H12N4O/c13-16-15-8-3-9-17-11-6-1-4-10-5-2-7-14-12(10)11/h1-2,4-7H,3,8-9H2
InChIKeyXBBGTBABTLYICR-UHFFFAOYSA-N
XLogP3.31
TPSA70.88 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-(6-chlorohexoxy)quinoline
CID 62228191
2-quinolin-8-yloxyethanamine
CID 17174906
8-[4-(2-fluorophenoxy)butoxy]quinoline
CID 4302402
8-[3-(2,4-dimethylphenoxy)propoxy]quinoline
CID 3611795
8-[4-(2,6-dichlorophenoxy)butoxy]quinoline
CID 2284830
7-(3-azidopropoxy)quinoline
CID 107314475
2-quinolin-8-yloxyethylhydrazine
CID 82126133
8-(chloromethoxy)quinoline
CID 79531226
N-propyl-5-quinolin-8-yloxypentan-1-amine
CID 62484408
8-(2,2,2-trifluoroethoxy)quinoline
CID 70258854
8-[2-(2,6-dichlorophenoxy)ethoxy]quinoline
CID 2283916

Frequently Asked Questions

What is the IUPAC name of 8-(3-azidopropoxy)quinoline?
The IUPAC name of 8-(3-azidopropoxy)quinoline (CID 61396496) is 8-(3-azidopropoxy)quinoline.
What is the SMILES notation for 8-(3-azidopropoxy)quinoline?
The canonical SMILES for 8-(3-azidopropoxy)quinoline is [N-]=[N+]=NCCCOc1cccc2cccnc12.
What is the InChIKey of 8-(3-azidopropoxy)quinoline?
The InChIKey is XBBGTBABTLYICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c13-16-15-8-3-9-17-11-6-1-4-10-5-2-7-14-12(10)11/h1-2,4-7H,3,8-9H2.
What are the key properties of 8-(3-azidopropoxy)quinoline?
8-(3-azidopropoxy)quinoline has a molecular weight of 228.26 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-azidopropoxy)quinoline is sourced from PubChem (CID 61396496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).