7-(benzyloxy)-1H,2H,3H,9H-pyrrolo[2,1-b]quinazolin-9-one

• ChemBase ID: 219325
• Molecular Formular: C18H16N2O2
• Molecular Mass: 292.33184
• Monoisotopic Mass: 292.12117776
• SMILES: n12c(=O)c3c(nc1CCC2)ccc(c3)OCc1ccccc1
• Canonical SMILES: O=c1c2cc(OCc3ccccc3)ccc2nc2n1CCC2
• InChI: InChI=1S/C18H16N2O2/c21-18-15-11-14(22-12-13-5-2-1-3-6-13)8-9-16(15)19-17-7-4-10-20(17)18/h1-3,5-6,8-9,11H,4,7,10,12H2
• InChIKey: GRMACNJFEQDOON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(benzyloxy)-1H,2H,3H,9H-pyrrolo[2,1-b]quinazolin-9-one
• IUPAC Traditional name: 7-(benzyloxy)-1H,2H,3H-pyrrolo[2,1-b]quinazolin-9-one

Database IDs

• PubChem SID: 164275235
• PubChem CID: 16409233

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.769501
• LogD (pH = 7.4): 2.7906446
• Log P: 2.7909214
• Molar Refractivity: 86.2577 cm^3
• Polarizability: 31.879843 Å^3
• Polar Surface Area: 41.9 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds