N-{[7-methoxy-2-(morpholin-4-yl)quinolin-3-yl]methyl}-3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)propanamide

• ChemBase ID: 606809
• Molecular Formular: C30H37N3O5
• Molecular Mass: 519.63188
• Monoisotopic Mass: 519.2733213
• SMILES: c1(c(CN(C(=O)CCc2c(OC)cccc2)CC2OCCC2)cc2c(n1)cc(cc2)OC)N1CCOCC1
• Canonical SMILES: COc1ccc2c(c1)nc(c(c2)CN(C(=O)CCc1ccccc1OC)CC1CCCO1)N1CCOCC1
• InChI: InChI=1S/C30H37N3O5/c1-35-25-11-9-23-18-24(30(31-27(23)19-25)32-13-16-37-17-14-32)20-33(21-26-7-5-15-38-26)29(34)12-10-22-6-3-4-8-28(22)36-2/h3-4,6,8-9,11,18-19,26H,5,7,10,12-17,20-21H2,1-2H3
• InChIKey: HXMAYOFLNKFPDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[7-methoxy-2-(morpholin-4-yl)quinolin-3-yl]methyl}-3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)propanamide
• IUPAC Traditional name: N-{[7-methoxy-2-(morpholin-4-yl)quinolin-3-yl]methyl}-3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)propanamide
• Synonyms: N-{[7-methoxy-2-(4-morpholinyl)-3-quinolinyl]methyl}-3-(2-methoxyphenyl)-N-(tetrahydro-2-furanylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 3.6862345
• LogD (pH = 7.4): 4.154157
• Log P: 4.1653476
• Molar Refractivity: 147.1138 cm^3
• Polarizability: 57.7731 Å^3
• Polar Surface Area: 73.36 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 4.84
• LOG S: -5.08
• Polar Surface Area: 73.36 Å^2
• Rotatable Bonds: 8