1-benzoyl-1H,2H,3H,4H,6H-pyrimido[2,1-b]quinazolin-6-one

• ChemBase ID: 220074
• Molecular Formular: C18H15N3O2
• Molecular Mass: 305.3306
• Monoisotopic Mass: 305.11642674
• SMILES: c12n(c(=O)c3c(n2)cccc3)CCCN1C(=O)c1ccccc1
• Canonical SMILES: O=C(N1CCCn2c1nc1ccccc1c2=O)c1ccccc1
• InChI: InChI=1S/C18H15N3O2/c22-16(13-7-2-1-3-8-13)20-11-6-12-21-17(23)14-9-4-5-10-15(14)19-18(20)21/h1-5,7-10H,6,11-12H2
• InChIKey: XGONERIQRAWMSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzoyl-1H,2H,3H,4H,6H-pyrimido[2,1-b]quinazolin-6-one
• IUPAC Traditional name: 1-benzoyl-2H,3H,4H-pyrimido[2,1-b]quinazolin-6-one

Database IDs

• PubChem SID: 164275984
• PubChem CID: 17571928

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6182685
• LogD (pH = 7.4): 2.618462
• Log P: 2.6184647
• Molar Refractivity: 88.9928 cm^3
• Polarizability: 32.20315 Å^3
• Polar Surface Area: 52.98 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds