4-(7-{spiro[2.3]hexane-1-carbonyl}-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-yl)morpholine

• ChemBase ID: 764480
• Molecular Formular: C18H24N4O2
• Molecular Mass: 328.40876
• Monoisotopic Mass: 328.18992603
• SMILES: C1(C2(C1)CCC2)C(=O)N1Cc2c(c(N3CCOCC3)ncn2)CC1
• Canonical SMILES: O=C(C1CC21CCC2)N1CCc2c(C1)ncnc2N1CCOCC1
• InChI: InChI=1S/C18H24N4O2/c23-17(14-10-18(14)3-1-4-18)22-5-2-13-15(11-22)19-12-20-16(13)21-6-8-24-9-7-21/h12,14H,1-11H2
• InChIKey: VKNJLUQNJJQGFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(7-{spiro[2.3]hexane-1-carbonyl}-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-yl)morpholine
• IUPAC Traditional name: 4-(7-{spiro[2.3]hexane-1-carbonyl}-5H,6H,8H-pyrido[3,4-d]pyrimidin-4-yl)morpholine
• Synonyms: 4-morpholin-4-yl-7-(spiro[2.3]hex-1-ylcarbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.15426
• LogD (pH = 7.4): 1.170877
• Log P: 1.1710931
• Molar Refractivity: 91.3619 cm^3
• Polarizability: 34.46044 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.32
• LOG S: -3.18
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 2