N,N-dimethyl-1-(quinoline-6-carbonyl)azepan-4-amine

• ChemBase ID: 390211
• Molecular Formular: C18H23N3O
• Molecular Mass: 297.39472
• Monoisotopic Mass: 297.18411237
• SMILES: C(=O)(N1CCC(N(C)C)CCC1)c1cc2c(nccc2)cc1
• Canonical SMILES: CN(C1CCCN(CC1)C(=O)c1ccc2c(c1)cccn2)C
• InChI: InChI=1S/C18H23N3O/c1-20(2)16-6-4-11-21(12-9-16)18(22)15-7-8-17-14(13-15)5-3-10-19-17/h3,5,7-8,10,13,16H,4,6,9,11-12H2,1-2H3
• InChIKey: HJVICOLGOHCFFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-1-(quinoline-6-carbonyl)azepan-4-amine
• IUPAC Traditional name: N,N-dimethyl-1-(quinoline-6-carbonyl)azepan-4-amine
• Synonyms: N,N-dimethyl-1-(6-quinolinylcarbonyl)-4-azepanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.4769832
• LogD (pH = 7.4): -0.39197975
• Log P: 1.9730617
• Molar Refractivity: 88.9468 cm^3
• Polarizability: 35.339336 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.95
• LOG S: -2.18
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 2