methyl 1-[(4-amino-6,7-dimethoxyquinazolin-2-yl)methyl]piperidine-2-carboxylate

• ChemBase ID: 773811
• Molecular Formular: C18H24N4O4
• Molecular Mass: 360.40756
• Monoisotopic Mass: 360.17975527
• SMILES: c12c(nc(nc1cc(c(c2)OC)OC)CN1C(C(=O)OC)CCCC1)N
• Canonical SMILES: COC(=O)C1CCCCN1Cc1nc(N)c2c(n1)cc(c(c2)OC)OC
• InChI: InChI=1S/C18H24N4O4/c1-24-14-8-11-12(9-15(14)25-2)20-16(21-17(11)19)10-22-7-5-4-6-13(22)18(23)26-3/h8-9,13H,4-7,10H2,1-3H3,(H2,19,20,21)
• InChIKey: VHWUOUVSAGCLNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 1-[(4-amino-6,7-dimethoxyquinazolin-2-yl)methyl]piperidine-2-carboxylate
• IUPAC Traditional name: methyl 1-[(4-amino-6,7-dimethoxyquinazolin-2-yl)methyl]piperidine-2-carboxylate
• Synonyms: methyl 1-[(4-amino-6,7-dimethoxy-2-quinazolinyl)methyl]-2-piperidinecarboxylate

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 1.765084
• LogD (pH = 7.4): 1.8652157
• Log P: 1.8666509
• Molar Refractivity: 97.5352 cm^3
• Polarizability: 38.517334 Å^3
• Polar Surface Area: 99.8 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 2.47
• LOG S: -2.55
• Polar Surface Area: 99.8 Å^2
• Rotatable Bonds: 3