N-{[6,7-dimethoxy-2-(3-methoxyphenyl)quinolin-3-yl]methyl}-2-(3-methyl-1H-pyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide

• ChemBase ID: 683497
• Molecular Formular: C30H34N4O5
• Molecular Mass: 530.61476
• Monoisotopic Mass: 530.25292021
• SMILES: n1c(c(CN(C(=O)Cn2nc(cc2)C)CC2OCCC2)cc2c1cc(c(c2)OC)OC)c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)c1nc2cc(OC)c(cc2cc1CN(C(=O)Cn1ccc(n1)C)CC1CCCO1)OC
• InChI: InChI=1S/C30H34N4O5/c1-20-10-11-34(32-20)19-29(35)33(18-25-9-6-12-39-25)17-23-13-22-15-27(37-3)28(38-4)16-26(22)31-30(23)21-7-5-8-24(14-21)36-2/h5,7-8,10-11,13-16,25H,6,9,12,17-19H2,1-4H3
• InChIKey: WNYCDFMBSYICQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[6,7-dimethoxy-2-(3-methoxyphenyl)quinolin-3-yl]methyl}-2-(3-methyl-1H-pyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
• IUPAC Traditional name: N-{[6,7-dimethoxy-2-(3-methoxyphenyl)quinolin-3-yl]methyl}-2-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
• Synonyms: N-{[6,7-dimethoxy-2-(3-methoxyphenyl)-3-quinolinyl]methyl}-2-(3-methyl-1H-pyrazol-1-yl)-N-(tetrahydro-2-furanylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 3.4967473
• LogD (pH = 7.4): 3.511457
• Log P: 3.5116475
• Molar Refractivity: 158.1955 cm^3
• Polarizability: 59.507256 Å^3
• Polar Surface Area: 87.94 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 8
• H Donor: 0
• Log P: 4.55
• LOG S: -4.74
• Polar Surface Area: 87.94 Å^2
• Rotatable Bonds: 7