6-fluoro-4-methyl-2-[2-(1,2-oxazolidine-2-carbonyl)pyrrolidin-1-yl]quinazoline

• ChemBase ID: 531342
• Molecular Formular: C17H19FN4O2
• Molecular Mass: 330.3567632
• Monoisotopic Mass: 330.14920409
• SMILES: c1(N2C(C(=O)N3OCCC3)CCC2)nc(c2c(n1)ccc(c2)F)C
• Canonical SMILES: Fc1ccc2c(c1)c(C)nc(n2)N1CCCC1C(=O)N1CCCO1
• InChI: InChI=1S/C17H19FN4O2/c1-11-13-10-12(18)5-6-14(13)20-17(19-11)21-7-2-4-15(21)16(23)22-8-3-9-24-22/h5-6,10,15H,2-4,7-9H2,1H3
• InChIKey: ICNVDVHINYWICX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoro-4-methyl-2-[2-(1,2-oxazolidine-2-carbonyl)pyrrolidin-1-yl]quinazoline
• IUPAC Traditional name: 6-fluoro-4-methyl-2-[2-(1,2-oxazolidine-2-carbonyl)pyrrolidin-1-yl]quinazoline
• Synonyms: 6-fluoro-2-[2-(2-isoxazolidinylcarbonyl)-1-pyrrolidinyl]-4-methylquinazoline

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.227757
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.2574177
• LogD (pH = 7.4): 2.2615952
• Log P: 2.261649
• Molar Refractivity: 87.2161 cm^3
• Polarizability: 33.804096 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: 3.06
• LOG S: -4.28
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 2