10-(prop-2-en-1-yl)-2H,3H,5H,10H-imidazo[2,1-b]quinazolin-5-one

• ChemBase ID: 220152
• Molecular Formular: C13H13N3O
• Molecular Mass: 227.26182
• Monoisotopic Mass: 227.10586205
• SMILES: n12c(=NCC2)n(c2c(c1=O)cccc2)CC=C
• Canonical SMILES: C=CCn1c2ccccc2c(=O)n2c1=NCC2
• InChI: InChI=1S/C13H13N3O/c1-2-8-15-11-6-4-3-5-10(11)12(17)16-9-7-14-13(15)16/h2-6H,1,7-9H2
• InChIKey: OUSVKZKLBWSYSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-(prop-2-en-1-yl)-2H,3H,5H,10H-imidazo[2,1-b]quinazolin-5-one
• IUPAC Traditional name: 10-(prop-2-en-1-yl)-2H,3H-imidazo[2,1-b]quinazolin-5-one

Database IDs

• PubChem SID: 164276062
• PubChem CID: 12223301

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.888712
• LogD (pH = 7.4): 1.9369674
• Log P: 1.9376189
• Molar Refractivity: 67.0551 cm^3
• Polarizability: 24.370213 Å^3
• Polar Surface Area: 35.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds