6,7-dimethoxy-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]quinazolin-4-amine dihydrate hydrochloride

• ChemBase ID: 312826
• Molecular Formular: C19H30ClN5O6
• Molecular Mass: 459.9244
• Monoisotopic Mass: 459.18846139
• SMILES: c12c(c(nc(n1)N1CCN(CC1)C(=O)C1CCCO1)N)cc(c(c2)OC)OC.Cl.O.O
• Canonical SMILES: COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)C1CCCO1.O.O.Cl
• InChI: InChI=1S/C19H25N5O4.ClH.2H2O/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14;;;/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22);1H;2*1H2
• InChIKey: NZMOFYDMGFQZLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dimethoxy-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]quinazolin-4-amine dihydrate hydrochloride
• IUPAC Traditional name: terazosin dihydrate hydrochloride
• Synonyms: Terazosin HCl (Hytrin)

Database IDs

• CAS Number: 70024-40-7

CALCULATED PROPERTIES

• Acid pKa: 19.929197
• H Acceptors: 8
• H Donor: 1
• LogD (pH = 5.5): -0.32373834
• LogD (pH = 7.4): 0.95433736
• Log P: 1.1797276
• Molar Refractivity: 105.1764 cm^3
• Polarizability: 40.394585 Å^3
• Polar Surface Area: 103.04 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Target: Adrenergic Receptor

Product Information

• Salt Data: HCl