2-[4-(furan-2-carbonyl)(2H8)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine

• ChemBase ID: 176874
• Molecular Formular: C19H21N5O4
• Molecular Mass: 383.40114
• Monoisotopic Mass: 383.15935418
• SMILES: c1c(c(cc2c1nc(nc2N)N1CCN(CC1)C(=O)c1ccco1)OC)OC
• Canonical SMILES: COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1
• InChI: InChI=1S/C19H21N5O4/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/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
• InChIKey: IENZQIKPVFGBNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(furan-2-carbonyl)(^2H₈)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine
• IUPAC Traditional name: 2-[4-(furan-2-carbonyl)(^2H₈)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine
• Synonyms: 4-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl-d8]-2-furanylmethanone; 1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-(2-furanylcarbonxyl)piperazine-d8; Adversuten-d8; Adverszuten-d8; Alpress LP-d8; Furazosin-d8; Lentopres-d8; NSC 292810-d8; Peripress-d8; Prazosin-d8

Database IDs

• CAS Number: 1006717-55-0
• PubChem SID: 164232784
• PubChem CID: 25216777

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 0.14705259
• LogD (pH = 7.4): 1.4251277
• Log P: 1.6505165
• Molar Refractivity: 104.4981 cm^3
• Polarizability: 39.320755 Å^3
• Polar Surface Area: 106.95 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: Pale Brown Solid
• Melting Point: 257-268°C (dec.)

Safety Information

• Storage Condition: -20°C Freezer, Under Inert Atmosphere

DETAILS

Toronto Research Chemicals - P702327

Labelled Prazosin. An antihypertensive. α1-Adrenergic blocker.

REFERENCES

• Jaillon, P., et al.: Clin. Pharmacokinet., 5, 365 (1980)
• Russell, I.J., et al.: J. Rheumatol., 12, 94 (1980)
• Kostek, L.J.: Anal. Profiles Drug Subs., 18, 351 (1980)