1,4-dihydroquinazoline

• ChemBase ID: 275204
• Molecular Formular: C8H8N2
• Molecular Mass: 132.16252
• Monoisotopic Mass: 132.06874827
• SMILES: N1=CNc2c(C1)cccc2
• Canonical SMILES: C1=NCc2c(N1)cccc2
• InChI: InChI=1S/C8H8N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-4,6H,5H2,(H,9,10)
• InChIKey: LGACUMPRRMLUFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dihydroquinazoline
• IUPAC Traditional name: quinazoline, 3,4-dihydro-
• Synonyms: 1,4-dihydroquinazoline

Database IDs

• MDL Number: MFCD00956195
• PubChem SID: 164331114
• PubChem CID: 583065

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.25746745
• LogD (pH = 7.4): 1.0224423
• Log P: 1.1498224
• Molar Refractivity: 41.9389 cm^3
• Polarizability: 15.1453285 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.343

Product Information

• Purity: 95%