7-propoxy-1H,2H,3H,9H-pyrrolo[2,1-b]quinazolin-9-one

• ChemBase ID: 226608
• Molecular Formular: C14H16N2O2
• Molecular Mass: 244.28904
• Monoisotopic Mass: 244.12117776
• SMILES: n12c(=O)c3c(nc1CCC2)ccc(c3)OCCC
• Canonical SMILES: CCCOc1ccc2c(c1)c(=O)n1c(n2)CCC1
• InChI: InChI=1S/C14H16N2O2/c1-2-8-18-10-5-6-12-11(9-10)14(17)16-7-3-4-13(16)15-12/h5-6,9H,2-4,7-8H2,1H3
• InChIKey: JUMCOUGWVXKBLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164282518
• PubChem CID: 71753768

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9234015
• LogD (pH = 7.4): 1.9454893
• Log P: 1.9457786
• Molar Refractivity: 70.9177 cm^3
• Polarizability: 25.980087 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