1-({3-[(quinolin-7-yl)carbamoyl]phenyl}methyl)piperidine-4-carboxamide

• ChemBase ID: 373797
• Molecular Formular: C23H24N4O2
• Molecular Mass: 388.46226
• Monoisotopic Mass: 388.18992603
• SMILES: C(=O)(Nc1cc2ncccc2cc1)c1cc(CN2CCC(C(=O)N)CC2)ccc1
• Canonical SMILES: NC(=O)C1CCN(CC1)Cc1cccc(c1)C(=O)Nc1ccc2c(c1)nccc2
• InChI: InChI=1S/C23H24N4O2/c24-22(28)18-8-11-27(12-9-18)15-16-3-1-4-19(13-16)23(29)26-20-7-6-17-5-2-10-25-21(17)14-20/h1-7,10,13-14,18H,8-9,11-12,15H2,(H2,24,28)(H,26,29)
• InChIKey: HKXAMNAWWIQULV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-({3-[(quinolin-7-yl)carbamoyl]phenyl}methyl)piperidine-4-carboxamide
• IUPAC Traditional name: 1-({3-[(quinolin-7-yl)carbamoyl]phenyl}methyl)piperidine-4-carboxamide
• Synonyms: 1-{3-[(quinolin-7-ylamino)carbonyl]benzyl}piperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.455947
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.10617568
• LogD (pH = 7.4): 1.6804184
• Log P: 2.43035
• Molar Refractivity: 114.2596 cm^3
• Polarizability: 44.4598 Å^3
• Polar Surface Area: 88.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.54
• LOG S: -3.35
• Polar Surface Area: 88.32 Å^2
• Rotatable Bonds: 5