[2-(4-methylphenyl)quinazolin-4-yl]-(pyridin-4-ylmethyl)diazene

C21H17N5 — CID 91896751

IUPAC[2-(4-methylphenyl)quinazolin-4-yl]-(pyridin-4-ylmethyl)diazene
SMILESCc1ccc(-c2nc(/N=N/Cc3ccncc3)c3ccccc3n2)cc1
InChIInChI=1S/C21H17N5/c1-15-6-8-17(9-7-15)20-24-19-5-3-2-4-18(19)21(25-20)26-23-14-16-10-12-22-13-11-16/h2-13H,14H2,1H3/b26-23+
InChIKeyHRKZLOUJWAFMEC-WNAAXNPUSA-N
MW339.40 g/mol
LogP5.28
Rot. Bonds4

About [2-(4-methylphenyl)quinazolin-4-yl]-(pyridin-4-ylmethyl)diazene

[2-(4-methylphenyl)quinazolin-4-yl]-(pyridin-4-ylmethyl)diazene (PubChem CID 91896751) has the molecular formula C21H17N5 and a molecular weight of 339.40 g/mol. Its IUPAC name is [2-(4-methylphenyl)quinazolin-4-yl]-(pyridin-4-ylmethyl)diazene.

Molecular Properties

Compound Name[2-(4-methylphenyl)quinazolin-4-yl]-(pyridin-4-ylmethyl)diazene
PubChem CID91896751
Molecular FormulaC21H17N5
Molecular Weight339.40 g/mol
Exact Mass339.15
IUPAC Name[2-(4-methylphenyl)quinazolin-4-yl]-(pyridin-4-ylmethyl)diazene
SMILESCc1ccc(-c2nc(/N=N/Cc3ccncc3)c3ccccc3n2)cc1
InChIInChI=1S/C21H17N5/c1-15-6-8-17(9-7-15)20-24-19-5-3-2-4-18(19)21(25-20)26-23-14-16-10-12-22-13-11-16/h2-13H,14H2,1H3/b26-23+
InChIKeyHRKZLOUJWAFMEC-WNAAXNPUSA-N
XLogP5.28
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.40
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)quinazolin-4-yl]-(pyridin-4-ylmethyl)diazene?
The IUPAC name of [2-(4-methylphenyl)quinazolin-4-yl]-(pyridin-4-ylmethyl)diazene (CID 91896751) is [2-(4-methylphenyl)quinazolin-4-yl]-(pyridin-4-ylmethyl)diazene.
What is the SMILES notation for [2-(4-methylphenyl)quinazolin-4-yl]-(pyridin-4-ylmethyl)diazene?
The canonical SMILES for [2-(4-methylphenyl)quinazolin-4-yl]-(pyridin-4-ylmethyl)diazene is Cc1ccc(-c2nc(/N=N/Cc3ccncc3)c3ccccc3n2)cc1.
What is the InChIKey of [2-(4-methylphenyl)quinazolin-4-yl]-(pyridin-4-ylmethyl)diazene?
The InChIKey is HRKZLOUJWAFMEC-WNAAXNPUSA-N. The full InChI is InChI=1S/C21H17N5/c1-15-6-8-17(9-7-15)20-24-19-5-3-2-4-18(19)21(25-20)26-23-14-16-10-12-22-13-11-16/h2-13H,14H2,1H3/b26-23+.
What are the key properties of [2-(4-methylphenyl)quinazolin-4-yl]-(pyridin-4-ylmethyl)diazene?
[2-(4-methylphenyl)quinazolin-4-yl]-(pyridin-4-ylmethyl)diazene has a molecular weight of 339.40 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)quinazolin-4-yl]-(pyridin-4-ylmethyl)diazene is sourced from PubChem (CID 91896751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).