N-cyclopropyl-N-[(2-ethoxyphenyl)methyl]-1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide

• ChemBase ID: 628127
• Molecular Formular: C24H27N3O3
• Molecular Mass: 405.48948
• Monoisotopic Mass: 405.20524174
• SMILES: c1(C(=O)N(Cc2c(OCC)cccc2)C2CC2)c(=O)c2c(n(c1)CC)nc(cc2)C
• Canonical SMILES: CCOc1ccccc1CN(C(=O)c1cn(CC)c2c(c1=O)ccc(n2)C)C1CC1
• InChI: InChI=1S/C24H27N3O3/c1-4-26-15-20(22(28)19-13-10-16(3)25-23(19)26)24(29)27(18-11-12-18)14-17-8-6-7-9-21(17)30-5-2/h6-10,13,15,18H,4-5,11-12,14H2,1-3H3
• InChIKey: HJXIFCFRHIUUDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-[(2-ethoxyphenyl)methyl]-1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide
• IUPAC Traditional name: N-cyclopropyl-N-[(2-ethoxyphenyl)methyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
• Synonyms: N-cyclopropyl-N-(2-ethoxybenzyl)-1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.2017143
• LogD (pH = 7.4): 3.2667553
• Log P: 3.2676525
• Molar Refractivity: 117.4757 cm^3
• Polarizability: 44.259296 Å^3
• Polar Surface Area: 62.74 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: 1.74
• LOG S: -3.64
• Polar Surface Area: 64.43 Å^2
• Rotatable Bonds: 7