4-[7-(1-phenylcyclopropanecarbonyl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-yl]morpholine

• ChemBase ID: 689830
• Molecular Formular: C21H24N4O2
• Molecular Mass: 364.44086
• Monoisotopic Mass: 364.18992603
• SMILES: C1(C(=O)N2Cc3c(c(N4CCOCC4)ncn3)CC2)(CC1)c1ccccc1
• Canonical SMILES: O=C(C1(CC1)c1ccccc1)N1CCc2c(C1)ncnc2N1CCOCC1
• InChI: InChI=1S/C21H24N4O2/c26-20(21(7-8-21)16-4-2-1-3-5-16)25-9-6-17-18(14-25)22-15-23-19(17)24-10-12-27-13-11-24/h1-5,15H,6-14H2
• InChIKey: BHBJUOPPIZUXME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[7-(1-phenylcyclopropanecarbonyl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-yl]morpholine
• IUPAC Traditional name: 4-[7-(1-phenylcyclopropanecarbonyl)-5H,6H,8H-pyrido[3,4-d]pyrimidin-4-yl]morpholine
• Synonyms: 4-morpholin-4-yl-7-[(1-phenylcyclopropyl)carbonyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.2761703
• LogD (pH = 7.4): 2.2927864
• Log P: 2.2930024
• Molar Refractivity: 104.1354 cm^3
• Polarizability: 39.2354 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.01
• LOG S: -2.72
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 3