Tariquidar

Molecule structure of Tariquidar (CAS NO.206873-63-4):

IUPAC Name: N-[2-[[4-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]quinoline-3-carboxamide 
Molecular Weight: 646.73152 [g/mol]
Molecular Formula: C₃₈H₃₈N₄O₆ 
Index of Refraction: 1.662
Molar Refractivity: 187.6 cm³
Molar Volume: 506.6 cm³
Polarizability: 74.37×10^-24 cm³
Surface Tension: 58 dyne/cm
Density: 1.276 g/cm³
Flash Point: 386.8 °C
Enthalpy of Vaporization: 104.65 kJ/mol
Boiling Point: 716 °C at 760 mmHg
Vapour Pressure: 2.37E-20 mmHg at 25°C
XLogP3-AA: 6.1
H-Bond Donor: 2
H-Bond Acceptor: 8
Rotatable Bond Count: 11
Tautomer Count: 9
Exact Mass: 646.279135
MonoIsotopic Mass: 646.279135
Topological Polar Surface Area: 111
Heavy Atom Count: 48
Complexity: 1040
Canonical SMILES: COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4NC(=O)C5=CC6=CC=CC=C6N=C5)OC)OC)OC
InChI: InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)
InChIKey: LGGHDPFKSSRQNS-UHFFFAOYSA-N

 Tariquidar (CAS NO.206873-63-4) is also called Tariquidar [USAN] ; 3-Quinolinecarboxamide,N-(2-(((4-(2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl)phenyl)amino)carbonyl)-4,5-dimethoxyphenyl)- ; N-(2-((4-(2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phenyl)carbamoyl)-4,5-dimethoxyphenyl)quinoline-3-carboxamide ; XR9576 ; UNII-J58862DTVD ; 3-Quinolinecarboxamide, N-(2-(((4-(2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl)phenyl)amino)carbonyl)-4,5-dimethoxyphenyl)- ; N-(2-((4-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phenyl)carbamoyl)-4,5-dimethoxyphenyl)quinoline-3-carboxamide . Tariquidar (CAS NO.206873-63-4) is an P-glycoprotein inhibitor undergoing research for the treatment of cancer.