N-[4-(propan-2-yl)phenyl]-1-(quinoline-3-carbonyl)piperidin-3-amine

• ChemBase ID: 862621
• Molecular Formular: C24H27N3O
• Molecular Mass: 373.49068
• Monoisotopic Mass: 373.2154125
• SMILES: C(=O)(N1CC(Nc2ccc(cc2)C(C)C)CCC1)c1cc2c(nc1)cccc2
• Canonical SMILES: O=C(c1cnc2c(c1)cccc2)N1CCCC(C1)Nc1ccc(cc1)C(C)C
• InChI: InChI=1S/C24H27N3O/c1-17(2)18-9-11-21(12-10-18)26-22-7-5-13-27(16-22)24(28)20-14-19-6-3-4-8-23(19)25-15-20/h3-4,6,8-12,14-15,17,22,26H,5,7,13,16H2,1-2H3
• InChIKey: SRTVJQJJEAWPCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(propan-2-yl)phenyl]-1-(quinoline-3-carbonyl)piperidin-3-amine
• IUPAC Traditional name: N-(4-isopropylphenyl)-1-(quinoline-3-carbonyl)piperidin-3-amine
• Synonyms: N-(4-isopropylphenyl)-1-(3-quinolinylcarbonyl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.3121333
• LogD (pH = 7.4): 4.4125266
• Log P: 4.4139657
• Molar Refractivity: 114.5359 cm^3
• Polarizability: 44.492836 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.71
• LOG S: -6.25
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 3