2-({3-methyl-6-oxo-6H-pyrimido[2,1-b]quinazolin-2-yl}amino)benzamide

• ChemBase ID: 186815
• Molecular Formular: C19H15N5O2
• Molecular Mass: 345.3547
• Monoisotopic Mass: 345.12257475
• SMILES: n12c(nc(c(c2)C)Nc2c(C(=O)N)cccc2)nc2c(c1=O)cccc2
• Canonical SMILES: Cc1cn2c(nc1Nc1ccccc1C(=O)N)nc1c(c2=O)cccc1
• InChI: InChI=1S/C19H15N5O2/c1-11-10-24-18(26)13-7-3-5-9-15(13)22-19(24)23-17(11)21-14-8-4-2-6-12(14)16(20)25/h2-10H,1H3,(H2,20,25)(H,21,22,23)
• InChIKey: GMTPVIQCBZBALQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({3-methyl-6-oxo-6H-pyrimido[2,1-b]quinazolin-2-yl}amino)benzamide
• IUPAC Traditional name: 2-({3-methyl-6-oxopyrimido[2,1-b]quinazolin-2-yl}amino)benzamide

Database IDs

• PubChem SID: 164242725
• PubChem CID: 933175

CALCULATED PROPERTIES

• Acid pKa: 14.620873
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 2.7127311
• LogD (pH = 7.4): 2.7127314
• Log P: 2.7127314
• Molar Refractivity: 100.841 cm^3
• Polarizability: 35.67705 Å^3
• Polar Surface Area: 100.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds