7-fluoro-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine

• ChemBase ID: 524866
• Molecular Formular: C15H18FN3O
• Molecular Mass: 275.3213232
• Monoisotopic Mass: 275.14339043
• SMILES: c1(c2c(ncn1)cc(cc2)F)N(CC1OCCCC1)C
• Canonical SMILES: Fc1ccc2c(c1)ncnc2N(CC1CCCCO1)C
• InChI: InChI=1S/C15H18FN3O/c1-19(9-12-4-2-3-7-20-12)15-13-6-5-11(16)8-14(13)17-10-18-15/h5-6,8,10,12H,2-4,7,9H2,1H3
• InChIKey: PRFFHBFSUREBBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-fluoro-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine
• IUPAC Traditional name: 7-fluoro-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine
• Synonyms: 7-fluoro-N-methyl-N-(tetrahydro-2H-pyran-2-ylmethyl)quinazolin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.106468
• LogD (pH = 7.4): 3.1330733
• Log P: 3.1334236
• Molar Refractivity: 76.6147 cm^3
• Polarizability: 29.686981 Å^3
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.25
• LOG S: -4.21
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 3