N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-5,6,7,8-tetrahydroquinoline-3-carboxamide

• ChemBase ID: 864511
• Molecular Formular: C22H23N3O2
• Molecular Mass: 361.43692
• Monoisotopic Mass: 361.17902699
• SMILES: c1(C(=O)N(Cc2c3c(nccc3)c(cc2)OC)C)cc2c(nc1)CCCC2
• Canonical SMILES: COc1ccc(c2c1nccc2)CN(C(=O)c1cnc2c(c1)CCCC2)C
• InChI: InChI=1S/C22H23N3O2/c1-25(22(26)17-12-15-6-3-4-8-19(15)24-13-17)14-16-9-10-20(27-2)21-18(16)7-5-11-23-21/h5,7,9-13H,3-4,6,8,14H2,1-2H3
• InChIKey: XMSBIAWTLLCATB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-5,6,7,8-tetrahydroquinoline-3-carboxamide
• IUPAC Traditional name: N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-5,6,7,8-tetrahydroquinoline-3-carboxamide
• Synonyms: N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-5,6,7,8-tetrahydroquinoline-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.061001
• LogD (pH = 7.4): 3.1036196
• Log P: 3.1041925
• Molar Refractivity: 104.8284 cm^3
• Polarizability: 41.166676 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.35
• LOG S: -3.84
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 4