N-cyclopropyl-N-({5,8-dimethoxy-2-[methyl(thiophen-2-ylmethyl)amino]quinolin-3-yl}methyl)-2-methyl-1,3-thiazole-4-carboxamide

• ChemBase ID: 660863
• Molecular Formular: C26H28N4O3S2
• Molecular Mass: 508.65552
• Monoisotopic Mass: 508.16028278
• SMILES: c1(C(=O)N(Cc2c(nc3c(c2)c(ccc3OC)OC)N(Cc2sccc2)C)C2CC2)nc(sc1)C
• Canonical SMILES: COc1ccc(c2c1cc(CN(C(=O)c1csc(n1)C)C1CC1)c(n2)N(Cc1cccs1)C)OC
• InChI: InChI=1S/C26H28N4O3S2/c1-16-27-21(15-35-16)26(31)30(18-7-8-18)13-17-12-20-22(32-3)9-10-23(33-4)24(20)28-25(17)29(2)14-19-6-5-11-34-19/h5-6,9-12,15,18H,7-8,13-14H2,1-4H3
• InChIKey: YYNAKYBYLUNTJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-({5,8-dimethoxy-2-[methyl(thiophen-2-ylmethyl)amino]quinolin-3-yl}methyl)-2-methyl-1,3-thiazole-4-carboxamide
• IUPAC Traditional name: N-cyclopropyl-N-({5,8-dimethoxy-2-[methyl(thiophen-2-ylmethyl)amino]quinolin-3-yl}methyl)-2-methyl-1,3-thiazole-4-carboxamide
• Synonyms: N-cyclopropyl-N-({5,8-dimethoxy-2-[methyl(2-thienylmethyl)amino]-3-quinolinyl}methyl)-2-methyl-1,3-thiazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.7884216
• LogD (pH = 7.4): 4.810858
• Log P: 4.8111515
• Molar Refractivity: 139.123 cm^3
• Polarizability: 53.662994 Å^3
• Polar Surface Area: 67.79 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 5.36
• LOG S: -4.61
• Polar Surface Area: 67.79 Å^2
• Rotatable Bonds: 7