N-{[5,8-dimethoxy-2-(4-methylphenyl)quinolin-3-yl]methyl}-N-[2-(dimethylamino)ethyl]-3-(3-methyl-1H-pyrazol-1-yl)propanamide

• ChemBase ID: 523599
• Molecular Formular: C30H37N5O3
• Molecular Mass: 515.64648
• Monoisotopic Mass: 515.28964007
• SMILES: n1c2c(cc(c1c1ccc(cc1)C)CN(C(=O)CCn1nc(cc1)C)CCN(C)C)c(ccc2OC)OC
• Canonical SMILES: COc1ccc(c2c1cc(CN(C(=O)CCn1ccc(n1)C)CCN(C)C)c(n2)c1ccc(cc1)C)OC
• InChI: InChI=1S/C30H37N5O3/c1-21-7-9-23(10-8-21)29-24(19-25-26(37-5)11-12-27(38-6)30(25)31-29)20-34(18-17-33(3)4)28(36)14-16-35-15-13-22(2)32-35/h7-13,15,19H,14,16-18,20H2,1-6H3
• InChIKey: HLRPALZCEAZBSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[5,8-dimethoxy-2-(4-methylphenyl)quinolin-3-yl]methyl}-N-[2-(dimethylamino)ethyl]-3-(3-methyl-1H-pyrazol-1-yl)propanamide
• IUPAC Traditional name: N-{[5,8-dimethoxy-2-(4-methylphenyl)quinolin-3-yl]methyl}-N-[2-(dimethylamino)ethyl]-3-(3-methylpyrazol-1-yl)propanamide
• Synonyms: N-{[5,8-dimethoxy-2-(4-methylphenyl)-3-quinolinyl]methyl}-N-[2-(dimethylamino)ethyl]-3-(3-methyl-1H-pyrazol-1-yl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.1641036
• LogD (pH = 7.4): 2.9209237
• Log P: 4.0198083
• Molar Refractivity: 161.2373 cm^3
• Polarizability: 60.365086 Å^3
• Polar Surface Area: 72.72 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 5.3
• LOG S: -4.72
• Polar Surface Area: 72.72 Å^2
• Rotatable Bonds: 8