3,4,7-trimethyl-2-[3-(morpholin-4-yl)azetidine-1-carbonyl]-1H-indole

• ChemBase ID: 860292
• Molecular Formular: C19H25N3O2
• Molecular Mass: 327.4207
• Monoisotopic Mass: 327.19467706
• SMILES: c1(c(c2c([nH]1)c(ccc2C)C)C)C(=O)N1CC(C1)N1CCOCC1
• Canonical SMILES: O=C(c1[nH]c2c(c1C)c(C)ccc2C)N1CC(C1)N1CCOCC1
• InChI: InChI=1S/C19H25N3O2/c1-12-4-5-13(2)17-16(12)14(3)18(20-17)19(23)22-10-15(11-22)21-6-8-24-9-7-21/h4-5,15,20H,6-11H2,1-3H3
• InChIKey: QLXDWQRLQJFSSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4,7-trimethyl-2-[3-(morpholin-4-yl)azetidine-1-carbonyl]-1H-indole
• IUPAC Traditional name: 3,4,7-trimethyl-2-[3-(morpholin-4-yl)azetidine-1-carbonyl]-1H-indole
• Synonyms: 3,4,7-trimethyl-2-{[3-(4-morpholinyl)-1-azetidinyl]carbonyl}-1H-indole

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.196977
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.2500658
• LogD (pH = 7.4): 2.5139952
• Log P: 2.5186517
• Molar Refractivity: 95.8122 cm^3
• Polarizability: 37.3179 Å^3
• Polar Surface Area: 48.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.56
• LOG S: -2.07
• Polar Surface Area: 48.57 Å^2
• Rotatable Bonds: 2