Synonyms
ZINC150339447; (3alpha)-6'-Methoxy-9-[(4-{[(4beta)-6'-methoxy-10,11-dihydrocinchonan-9-yl]oxy}phthalazin-1-yl)oxy]-10,11-dihydrocinchonan; BP-12219; 1,4-Bis(9-O-dihydroquinyl)phthalazine; 924D501; (DHQ)2 PHAL; (8ALPHA,9R,8'''ALPHA,9'''R)-9,9'-[PHTHALAZINE-1,4-DIYLBIS(OXY)]BIS(6'-METHOXY-10,11-DIHYDROCINCHONAN); (DHQ)2PHAL; (DHQ)2-PHAL; S-7988;
IUPAC Name
4-[(R)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]-1-[(R)-[(2R,4R,5S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]phthalazine;
Molecular Weight
778.998g/mol
Molecular Formula
C48H54N6O4;
Canonical SMILES
CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OC)OC5=NN=C(C6=CC=CC=C65)OC(C7CC8CCN7CC8CC)C9=C1C=C(C=CC1=NC=C9)OC;
InChI
InChI=1S/C48H54N6O4/c1-5-29-27-53-21-17-31(29)23-43(53)45(35-15-19-49-41-13-11-33(55-3)25-39(35)41)57-47-37-9-7-8-10-38(37)48(52-51-47)58-46(44-24-32-18-22-54(44)28-30(32)6-2)36-16-20-50-42-14-12-34(56-4)26-40(36)42/h7-16,19-20,25-26,29-32,43-46H,5-6,17-18,21-24,27-28H2,1-4H3/t29-,30+,31-,32+,43-,44-,45-,46-/m1/s1;
InChI Key
YUCBLVFHJWOYDN-PPIALRKJSA-N;
Complexity
1250
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
8
Exact Mass
778.421g/mol
H-Bond Acceptor
10
Heavy Atom Count
58
Monoisotopic Mass
778.421g/mol
Rotatable Bond Count
12
Topological Polar Surface Area
95A^2
