N-{[6,7-dimethoxy-2-(3-methoxyphenyl)quinolin-3-yl]methyl}-2-ethyl-N-(oxolan-2-ylmethyl)butanamide

• ChemBase ID: 830626
• Molecular Formular: C30H38N2O5
• Molecular Mass: 506.63312
• Monoisotopic Mass: 506.27807233
• SMILES: n1c(c(CN(C(=O)C(CC)CC)CC2OCCC2)cc2c1cc(c(c2)OC)OC)c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)c1nc2cc(OC)c(cc2cc1CN(C(=O)C(CC)CC)CC1CCCO1)OC
• InChI: InChI=1S/C30H38N2O5/c1-6-20(7-2)30(33)32(19-25-12-9-13-37-25)18-23-14-22-16-27(35-4)28(36-5)17-26(22)31-29(23)21-10-8-11-24(15-21)34-3/h8,10-11,14-17,20,25H,6-7,9,12-13,18-19H2,1-5H3
• InChIKey: MCURUXCXNMSJIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[6,7-dimethoxy-2-(3-methoxyphenyl)quinolin-3-yl]methyl}-2-ethyl-N-(oxolan-2-ylmethyl)butanamide
• IUPAC Traditional name: N-{[6,7-dimethoxy-2-(3-methoxyphenyl)quinolin-3-yl]methyl}-2-ethyl-N-(oxolan-2-ylmethyl)butanamide
• Synonyms: N-{[6,7-dimethoxy-2-(3-methoxyphenyl)-3-quinolinyl]methyl}-2-ethyl-N-(tetrahydro-2-furanylmethyl)butanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 5.3964868
• LogD (pH = 7.4): 5.4103227
• Log P: 5.410502
• Molar Refractivity: 143.6051 cm^3
• Polarizability: 58.731014 Å^3
• Polar Surface Area: 70.12 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 5.69
• LOG S: -3.49
• Polar Surface Area: 70.12 Å^2
• Rotatable Bonds: 6