N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-2-[5-(morpholin-4-ylmethyl)-1H-1,2,3,4-tetrazol-1-yl]acetamide

• ChemBase ID: 839360
• Molecular Formular: C20H25N7O3
• Molecular Mass: 411.4576
• Monoisotopic Mass: 411.2018877
• SMILES: n1(c(nnn1)CN1CCOCC1)CC(=O)N(Cc1c2c(nccc2)c(cc1)OC)C
• Canonical SMILES: COc1ccc(c2c1nccc2)CN(C(=O)Cn1nnnc1CN1CCOCC1)C
• InChI: InChI=1S/C20H25N7O3/c1-25(12-15-5-6-17(29-2)20-16(15)4-3-7-21-20)19(28)14-27-18(22-23-24-27)13-26-8-10-30-11-9-26/h3-7H,8-14H2,1-2H3
• InChIKey: BCMSZNPUQOKUSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-2-[5-(morpholin-4-ylmethyl)-1H-1,2,3,4-tetrazol-1-yl]acetamide
• IUPAC Traditional name: N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-2-[5-(morpholin-4-ylmethyl)-1,2,3,4-tetrazol-1-yl]acetamide
• Synonyms: N-[(8-methoxy-5-quinolinyl)methyl]-N-methyl-2-[5-(4-morpholinylmethyl)-1H-tetrazol-1-yl]acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 8
• H Donor: 0
• LogD (pH = 5.5): -0.023760052
• LogD (pH = 7.4): -0.008573105
• Log P: -0.008376194
• Molar Refractivity: 123.1761 cm^3
• Polarizability: 43.403347 Å^3
• Polar Surface Area: 98.5 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 9
• H Donor: 0
• Log P: 0.58
• LOG S: 0.14
• Polar Surface Area: 98.5 Å^2
• Rotatable Bonds: 6