[(1R,5S,6S)-3-azabicyclo[3.1.0]hexan-6-ylmethyl][(8-methoxyquinolin-5-yl)methyl]methylamine

• ChemBase ID: 737225
• Molecular Formular: C18H23N3O
• Molecular Mass: 297.39472
• Monoisotopic Mass: 297.18411237
• SMILES: [C@H]1([C@@H]2[C@H]1CNC2)CN(Cc1c2c(nccc2)c(cc1)OC)C
• Canonical SMILES: COc1ccc(c2c1nccc2)CN(C[C@@H]1[C@@H]2[C@H]1CNC2)C
• InChI: InChI=1S/C18H23N3O/c1-21(11-16-14-8-19-9-15(14)16)10-12-5-6-17(22-2)18-13(12)4-3-7-20-18/h3-7,14-16,19H,8-11H2,1-2H3/t14-,15+,16+
• InChIKey: KWHIYIPKOCDYDU-ZSHCYNCHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1R,5S,6S)-3-azabicyclo[3.1.0]hexan-6-ylmethyl][(8-methoxyquinolin-5-yl)methyl]methylamine
• IUPAC Traditional name: [(1R,5S,6S)-3-azabicyclo[3.1.0]hexan-6-ylmethyl][(8-methoxyquinolin-5-yl)methyl]methylamine
• Synonyms: 1-[(1R*,5S*,6r*)-3-azabicyclo[3.1.0]hex-6-yl]-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylmethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -5.2983484
• LogD (pH = 7.4): -4.2242217
• Log P: 1.3960674
• Molar Refractivity: 87.8986 cm^3
• Polarizability: 35.842056 Å^3
• Polar Surface Area: 37.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.37
• LOG S: -1.53
• Polar Surface Area: 37.39 Å^2
• Rotatable Bonds: 5