N-[2-(5-methylfuran-2-yl)-2-(morpholin-4-yl)ethyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide

• ChemBase ID: 723909
• Molecular Formular: C21H27N3O3
• Molecular Mass: 369.45738
• Monoisotopic Mass: 369.20524174
• SMILES: c1(C(N2CCOCC2)CNC(=O)c2cc3c(nc2)CCCC3)oc(cc1)C
• Canonical SMILES: Cc1ccc(o1)C(N1CCOCC1)CNC(=O)c1cnc2c(c1)CCCC2
• InChI: InChI=1S/C21H27N3O3/c1-15-6-7-20(27-15)19(24-8-10-26-11-9-24)14-23-21(25)17-12-16-4-2-3-5-18(16)22-13-17/h6-7,12-13,19H,2-5,8-11,14H2,1H3,(H,23,25)
• InChIKey: CLTOGPNFMZHLHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-methylfuran-2-yl)-2-(morpholin-4-yl)ethyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
• IUPAC Traditional name: N-[2-(5-methylfuran-2-yl)-2-(morpholin-4-yl)ethyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
• Synonyms: N-[2-(5-methyl-2-furyl)-2-morpholin-4-ylethyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.158477
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6194212
• LogD (pH = 7.4): 1.9933008
• Log P: 2.0002522
• Molar Refractivity: 103.8516 cm^3
• Polarizability: 39.51721 Å^3
• Polar Surface Area: 67.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.94
• LOG S: -3.55
• Polar Surface Area: 67.6 Å^2
• Rotatable Bonds: 5