N-[(2-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)quinoline-6-carboxamide

• ChemBase ID: 508294
• Molecular Formular: C22H24N2O3
• Molecular Mass: 364.43756
• Monoisotopic Mass: 364.17869264
• SMILES: C(=O)(N(Cc1c(OC)cccc1)C(COC)C)c1cc2c(nccc2)cc1
• Canonical SMILES: COCC(N(C(=O)c1ccc2c(c1)cccn2)Cc1ccccc1OC)C
• InChI: InChI=1S/C22H24N2O3/c1-16(15-26-2)24(14-19-7-4-5-9-21(19)27-3)22(25)18-10-11-20-17(13-18)8-6-12-23-20/h4-13,16H,14-15H2,1-3H3
• InChIKey: MEDOMEULDXMKNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)quinoline-6-carboxamide
• IUPAC Traditional name: N-[(2-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)quinoline-6-carboxamide
• Synonyms: N-(2-methoxybenzyl)-N-(2-methoxy-1-methylethyl)quinoline-6-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.352092
• LogD (pH = 7.4): 3.3651252
• Log P: 3.3652942
• Molar Refractivity: 105.3892 cm^3
• Polarizability: 41.798042 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.37
• LOG S: -4.74
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 7