Synonyms
1256245-84-7;3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(8|A,9S)-6'-methoxycinchonan-9-yl]amino]-3-cyclobutene-1,2-dione;SCHEMBL14857091;3-((3,5-Bis(trifluoromethyl)phenyl)amino)-4-(((1R)-(6-methoxyquinolin-4-yl)(5-vinylquinuclidin-2-yl)methyl)amino)cyclobut-3-ene-1,2-dione;3-((7-Vinyl-1,4-ethanopiperidine-2-yl)(6-methoxy-4-quinolinyl)methylamino)-4-(3,5-di(trifluoromethyl)phenylamino)-3-cyclobutene-1,2-dione;
IUPAC Name
3-[3,5-bis(trifluoromethyl)anilino]-4-[[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl]amino]cyclobut-3-ene-1,2-dione;
Molecular Weight
630.591g/mol
Molecular Formula
C32H28F6N4O3;
Canonical SMILES
COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)NC5=C(C(=O)C5=O)NC6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F;
InChI
InChI=1S/C32H28F6N4O3/c1-3-16-15-42-9-7-17(16)10-25(42)26(22-6-8-39-24-5-4-21(45-2)14-23(22)24)41-28-27(29(43)30(28)44)40-20-12-18(31(33,34)35)11-19(13-20)32(36,37)38/h3-6,8,11-14,16-17,25-26,40-41H,1,7,9-10,15H2,2H3;
InChI Key
RWVDHFLTDHDJKH-UHFFFAOYSA-N;
Complexity
1170
Covalently-Bonded Unit Count
1
Exact Mass
630.207g/mol
H-Bond Acceptor
13
H-Bond Donor
2
Heavy Atom Count
45
Monoisotopic Mass
630.207g/mol
Rotatable Bond Count
8
Topological Polar Surface Area
83.6A^2
Undefined Atom Stereocenter Count
4
