[6-(4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)-4-oxo-3(4H)-quinazolinyl]acetic acid
[CAS# 959246-63-0]

Identification

• Name: [6-(4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)-4-oxo-3(4H)-quinazolinyl]acetic acid
• Synonyms: 1-N-Boc-4-(3-Carboxymethyl-4-oxo-3,4-dihydroquinazolin-6-yl)piperazine; 4-(3-Carboxymethyl-4-oxo-3,4-dihydro-quinazolin-6-yl)-piperazine-1-carboxylic acid tert-butyl ester
• Molecular Formula: C₁₉H₂₄N₄O₅
• Molecular Weight: 388.42
• CAS Registry Number: 959246-63-0
• SMILES: O=C(OC(C)(C)C)N3CCN(c1ccc2/N=C\N(C(=O)c2c1)CC(=O)O)CC3
• InChI: 1S/C19H24N4O5/c1-19(2,3)28-18(27)22-8-6-21(7-9-22)13-4-5-15-14(10-13)17(26)23(12-20-15)11-16(24)25/h4-5,10,12H,6-9,11H2,1-3H3,(H,24,25)
• InChIKey: ABVMZUQYWFDMMH-UHFFFAOYSA-N

Properties

• Density: 1.347g/cm³ (Cal.)
• Boiling point: 622.108°C at 760 mmHg (Cal.)
• Flash point: 330.039°C (Cal.)
• Refractive index: 1.627 (Cal.)