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

• ChemBase ID: 227190
• Molecular Formular: C14H16N2O2
• Molecular Mass: 244.28904
• Monoisotopic Mass: 244.12117776
• SMILES: n12c(=O)c3c(nc1CCC2)ccc(c3)OC(C)C
• Canonical SMILES: CC(Oc1ccc2c(c1)c(=O)n1c(n2)CCC1)C
• InChI: InChI=1S/C14H16N2O2/c1-9(2)18-10-5-6-12-11(8-10)14(17)16-7-3-4-13(16)15-12/h5-6,8-9H,3-4,7H2,1-2H3
• InChIKey: YGXAFCBTEFPUKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164283100
• PubChem CID: 71754322

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8180009
• LogD (pH = 7.4): 1.8395492
• Log P: 1.8398312
• Molar Refractivity: 70.8125 cm^3
• Polarizability: 25.979946 Å^3
• Polar Surface Area: 41.9 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds