[1,2,3,4]tetrazolo[1,5-a]quinoline-4-carbaldehyde

• ChemBase ID: 233838
• Molecular Formular: C10H6N4O
• Molecular Mass: 198.18084
• Monoisotopic Mass: 198.05416083
• SMILES: n12c(c(cc3c2cccc3)C=O)nnn1
• Canonical SMILES: O=Cc1cc2ccccc2n2c1nnn2
• InChI: InChI=1S/C10H6N4O/c15-6-8-5-7-3-1-2-4-9(7)14-10(8)11-12-13-14/h1-6H
• InChIKey: WAAKFCBUSIIVCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1,2,3,4]tetrazolo[1,5-a]quinoline-4-carbaldehyde
• IUPAC Traditional name: [1,2,3,4]tetrazolo[1,5-a]quinoline-4-carbaldehyde
• Synonyms: tetrazolo[1,5-a]quinoline-4-carbaldehyde

Database IDs

• CAS Number: 121497-03-8
• MDL Number: MFCD00178663
• PubChem SID: 164289748
• PubChem CID: 2305096

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5343128
• LogD (pH = 7.4): 1.5343128
• Log P: 1.5343128
• Molar Refractivity: 67.0625 cm^3
• Polarizability: 20.937424 Å^3
• Polar Surface Area: 60.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.672

Product Information

• Purity: 95%