4-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1,2-dihydroquinolin-2-one

• ChemBase ID: 836250
• Molecular Formular: C20H23N3O4
• Molecular Mass: 369.41432
• Monoisotopic Mass: 369.16885623
• SMILES: c1(C(=O)N2CC(C(=O)N3CCOCC3)CCC2)c2c([nH]c(=O)c1)cccc2
• Canonical SMILES: O=C(N1CCOCC1)C1CCCN(C1)C(=O)c1cc(=O)[nH]c2c1cccc2
• InChI: InChI=1S/C20H23N3O4/c24-18-12-16(15-5-1-2-6-17(15)21-18)20(26)23-7-3-4-14(13-23)19(25)22-8-10-27-11-9-22/h1-2,5-6,12,14H,3-4,7-11,13H2,(H,21,24)
• InChIKey: WFRRVZRTMZCOKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1,2-dihydroquinolin-2-one
• IUPAC Traditional name: 4-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-quinolin-2-one
• Synonyms: 4-{[3-(4-morpholinylcarbonyl)-1-piperidinyl]carbonyl}-2(1H)-quinolinone

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.376883
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.37956527
• LogD (pH = 7.4): 0.37956578
• Log P: 0.37956622
• Molar Refractivity: 101.812 cm^3
• Polarizability: 38.089436 Å^3
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.36
• LOG S: -2.2
• Polar Surface Area: 82.71 Å^2
• Rotatable Bonds: 2