1-[5-(morpholin-4-yl)pentyl]-3-(quinolin-3-yl)urea

• ChemBase ID: 634569
• Molecular Formular: C19H26N4O2
• Molecular Mass: 342.43534
• Monoisotopic Mass: 342.20557609
• SMILES: C(=O)(Nc1cc2c(nc1)cccc2)NCCCCCN1CCOCC1
• Canonical SMILES: O=C(Nc1cnc2c(c1)cccc2)NCCCCCN1CCOCC1
• InChI: InChI=1S/C19H26N4O2/c24-19(20-8-4-1-5-9-23-10-12-25-13-11-23)22-17-14-16-6-2-3-7-18(16)21-15-17/h2-3,6-7,14-15H,1,4-5,8-13H2,(H2,20,22,24)
• InChIKey: RFQRQYTWUDQNSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[5-(morpholin-4-yl)pentyl]-3-(quinolin-3-yl)urea
• IUPAC Traditional name: 1-[5-(morpholin-4-yl)pentyl]-3-(quinolin-3-yl)urea
• Synonyms: N-(5-morpholin-4-ylpentyl)-N'-quinolin-3-ylurea

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.303645
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.12778077
• LogD (pH = 7.4): 1.588945
• Log P: 2.0807765
• Molar Refractivity: 99.6203 cm^3
• Polarizability: 39.185963 Å^3
• Polar Surface Area: 66.49 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.01
• LOG S: -3.41
• Polar Surface Area: 66.49 Å^2
• Rotatable Bonds: 7