(E)-1-(7-methoxy-4-methylquinazolin-2-yl)-2-methylguanidine hydroiodide

• ChemBase ID: 183300
• Molecular Formular: C12H16IN5O
• Molecular Mass: 373.19281
• Monoisotopic Mass: 373.03995816
• SMILES: c1(nc2c(c(n1)C)ccc(c2)OC)N/C(=N/C)/N.I
• Canonical SMILES: C/N=C(/Nc1nc2cc(OC)ccc2c(n1)C)\N.I
• InChI: InChI=1S/C12H15N5O.HI/c1-7-9-5-4-8(18-3)6-10(9)16-12(15-7)17-11(13)14-2;/h4-6H,1-3H3,(H3,13,14,15,16,17);1H
• InChIKey: BFZLKKWEEZYNKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-1-(7-methoxy-4-methylquinazolin-2-yl)-2-methylguanidine hydroiodide
• IUPAC Traditional name: (E)-1-(7-methoxy-4-methylquinazolin-2-yl)-2-methylguanidine hydroiodide

Database IDs

• PubChem SID: 164239210
• PubChem CID: 52993301

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -0.30828476
• LogD (pH = 7.4): 1.0855075
• Log P: 1.2752166
• Molar Refractivity: 70.4168 cm^3
• Polarizability: 27.005209 Å^3
• Polar Surface Area: 85.42 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HI
• Classification: Derivatives & analogs of Natural Compounds