1-methyl-1H,2H,3H,5H-imidazolidino[2,1-b]quinazolin-5-one

• ChemBase ID: 219659
• Molecular Formular: C11H11N3O
• Molecular Mass: 201.22454
• Monoisotopic Mass: 201.09021199
• SMILES: n12c(nc3c(c1=O)cccc3)N(CC2)C
• Canonical SMILES: CN1CCn2c1nc1ccccc1c2=O
• InChI: InChI=1S/C11H11N3O/c1-13-6-7-14-10(15)8-4-2-3-5-9(8)12-11(13)14/h2-5H,6-7H2,1H3
• InChIKey: DGXZRCQECMRSGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1H,2H,3H,5H-imidazolidino[2,1-b]quinazolin-5-one
• IUPAC Traditional name: 1-methyl-2H,3H-imidazolidino[2,1-b]quinazolin-5-one

Database IDs

• PubChem SID: 164275569
• PubChem CID: 16409550

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.7576861
• LogD (pH = 7.4): 1.0824296
• Log P: 1.0887982
• Molar Refractivity: 59.1857 cm^3
• Polarizability: 20.918585 Å^3
• Polar Surface Area: 35.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds