8-methoxy-4-methyl-N-[(2S)-oxolan-2-ylmethyl]quinolin-2-amine

• ChemBase ID: 709467
• Molecular Formular: C16H20N2O2
• Molecular Mass: 272.3422
• Monoisotopic Mass: 272.15247789
• SMILES: c12nc(cc(c1cccc2OC)C)NC[C@H]1OCCC1
• Canonical SMILES: COc1cccc2c1nc(NC[C@@H]1CCCO1)cc2C
• InChI: InChI=1S/C16H20N2O2/c1-11-9-15(17-10-12-5-4-8-20-12)18-16-13(11)6-3-7-14(16)19-2/h3,6-7,9,12H,4-5,8,10H2,1-2H3,(H,17,18)/t12-/m0/s1
• InChIKey: ZONDAOIONLNTKD-LBPRGKRZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxy-4-methyl-N-[(2S)-oxolan-2-ylmethyl]quinolin-2-amine
• IUPAC Traditional name: 8-methoxy-4-methyl-N-[(2S)-oxolan-2-ylmethyl]quinolin-2-amine
• Synonyms: 8-methoxy-4-methyl-N-[(2S)-tetrahydro-2-furanylmethyl]-2-quinolinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.858562
• LogD (pH = 7.4): 2.9708316
• Log P: 2.9724753
• Molar Refractivity: 80.2457 cm^3
• Polarizability: 31.543497 Å^3
• Polar Surface Area: 43.38 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.78
• LOG S: -4.41
• Polar Surface Area: 43.38 Å^2
• Rotatable Bonds: 4