8-(3-azidophenyl)-6-(pyridin-4-ylmethyl)quinoline

C21H15N5 — CID 10404815

IUPAC8-(3-azidophenyl)-6-(pyridin-4-ylmethyl)quinoline
SMILES[N-]=[N+]=Nc1cccc(-c2cc(Cc3ccncc3)cc3cccnc23)c1
InChIInChI=1S/C21H15N5/c22-26-25-19-5-1-3-17(14-19)20-13-16(11-15-6-9-23-10-7-15)12-18-4-2-8-24-21(18)20/h1-10,12-14H,11H2
InChIKeySJSUBWZFLWXJFL-UHFFFAOYSA-N
MW337.39 g/mol
LogP5.83
Rot. Bonds4

About 8-(3-azidophenyl)-6-(pyridin-4-ylmethyl)quinoline

8-(3-azidophenyl)-6-(pyridin-4-ylmethyl)quinoline (PubChem CID 10404815) has the molecular formula C21H15N5 and a molecular weight of 337.39 g/mol. Its IUPAC name is 8-(3-azidophenyl)-6-(pyridin-4-ylmethyl)quinoline.

Molecular Properties

Compound Name8-(3-azidophenyl)-6-(pyridin-4-ylmethyl)quinoline
PubChem CID10404815
Molecular FormulaC21H15N5
Molecular Weight337.39 g/mol
Exact Mass337.13
IUPAC Name8-(3-azidophenyl)-6-(pyridin-4-ylmethyl)quinoline
SMILES[N-]=[N+]=Nc1cccc(-c2cc(Cc3ccncc3)cc3cccnc23)c1
InChIInChI=1S/C21H15N5/c22-26-25-19-5-1-3-17(14-19)20-13-16(11-15-6-9-23-10-7-15)12-18-4-2-8-24-21(18)20/h1-10,12-14H,11H2
InChIKeySJSUBWZFLWXJFL-UHFFFAOYSA-N
XLogP5.83
TPSA74.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.39
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 8-(3-azidophenyl)-6-(pyridin-4-ylmethyl)quinoline?
The IUPAC name of 8-(3-azidophenyl)-6-(pyridin-4-ylmethyl)quinoline (CID 10404815) is 8-(3-azidophenyl)-6-(pyridin-4-ylmethyl)quinoline.
What is the SMILES notation for 8-(3-azidophenyl)-6-(pyridin-4-ylmethyl)quinoline?
The canonical SMILES for 8-(3-azidophenyl)-6-(pyridin-4-ylmethyl)quinoline is [N-]=[N+]=Nc1cccc(-c2cc(Cc3ccncc3)cc3cccnc23)c1.
What is the InChIKey of 8-(3-azidophenyl)-6-(pyridin-4-ylmethyl)quinoline?
The InChIKey is SJSUBWZFLWXJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5/c22-26-25-19-5-1-3-17(14-19)20-13-16(11-15-6-9-23-10-7-15)12-18-4-2-8-24-21(18)20/h1-10,12-14H,11H2.
What are the key properties of 8-(3-azidophenyl)-6-(pyridin-4-ylmethyl)quinoline?
8-(3-azidophenyl)-6-(pyridin-4-ylmethyl)quinoline has a molecular weight of 337.39 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-azidophenyl)-6-(pyridin-4-ylmethyl)quinoline is sourced from PubChem (CID 10404815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).