[(2R)-3-(4-amino-3-chloro-5-ethylphenyl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-(4-amino-3-chloro-5-ethynylphenyl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-(4-amino-3-chloro-5-ethynylphenyl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate;[(2R)-1-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]-1-oxopropan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1-oxopropan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-[3-chloro-4-(methylamino)-5-(trifluoromethyl)phenyl]-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate

C207H241Cl6F9N32O27 — CID 160970360

About [(2R)-3-(4-amino-3-chloro-5-ethylphenyl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-(4-amino-3-chloro-5-ethynylphenyl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-(4-amino-3-chloro-5-ethynylphenyl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate;[(2R)-1-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]-1-oxopropan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1-oxopropan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-[3-chloro-4-(methylamino)-5-(trifluoromethyl)phenyl]-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate

[(2R)-3-(4-amino-3-chloro-5-ethylphenyl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-(4-amino-3-chloro-5-ethynylphenyl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-(4-amino-3-chloro-5-ethynylphenyl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate;[(2R)-1-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]-1-oxopropan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1-oxopropan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-[3-chloro-4-(methylamino)-5-(trifluoromethyl)phenyl]-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate (PubChem CID 160970360) has the molecular formula C207H241Cl6F9N32O27 and a molecular weight of 3993.10 g/mol. Its IUPAC name is [(2R)-3-(4-amino-3-chloro-5-ethylphenyl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-(4-amino-3-chloro-5-ethynylphenyl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-(4-amino-3-chloro-5-ethynylphenyl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate;[(2R)-1-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]-1-oxopropan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1-oxopropan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-[3-chloro-4-(methylamino)-5-(trifluoromethyl)phenyl]-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate.

Molecular Properties

• Compound Name: [(2R)-3-(4-amino-3-chloro-5-ethylphenyl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-(4-amino-3-chloro-5-ethynylphenyl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-(4-amino-3-chloro-5-ethynylphenyl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate;[(2R)-1-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]-1-oxopropan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1-oxopropan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-[3-chloro-4-(methylamino)-5-(trifluoromethyl)phenyl]-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate
• PubChem CID: 160970360
• Molecular Formula: C207H241Cl6F9N32O27
• Molecular Weight: 3993.10 g/mol
• Exact Mass: 3987.65
• IUPAC Name: [(2R)-3-(4-amino-3-chloro-5-ethylphenyl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-(4-amino-3-chloro-5-ethynylphenyl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-(4-amino-3-chloro-5-ethynylphenyl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate;[(2R)-1-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]-1-oxopropan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1-oxopropan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-[3-chloro-4-(methylamino)-5-(trifluoromethyl)phenyl]-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate
• SMILES: C#Cc1cc(C[C@@H](OC(=O)N2CCC3(CC2)CC(=O)Nc2ccccc23)C(=O)N2CCC(N3CCCCC3)CC2)cc(Cl)c1N.C#Cc1cc(C[C@@H](OC(=O)N2CCC3(CC2)OC(=O)Nc2ccccc23)C(=O)N2CCN(c3ccncc3)CC2)cc(Cl)c1N.CCc1cc(C[C@@H](OC(=O)N2CCC3(CC2)CC(=O)Nc2ccccc23)C(=O)N2CCN(c3ccncc3)CC2)cc(Cl)c1N.CN1CCN(C2CCN(C(=O)[C@@H](Cc3cc(Cl)c(O)c(C(F)(F)F)c3)OC(=O)N3CCC4(CC3)CC(=O)Nc3ccccc34)CC2)CC1.CNc1c(Cl)cc(C[C@@H](OC(=O)N2CCC3(CC2)CC(=O)Nc2ccccc23)C(=O)N2CCC(C3CCN(C)CC3)CC2)cc1C(F)(F)F.O=C1CC2(CCN(C(=O)O[C@H](Cc3cc(Cl)c(O)c(C(F)(F)F)c3)C(=O)N3CCN(C4CN5CCC4CC5)CC3)CC2)c2ccccc2N1
• InChI: InChI=1S/C36H45ClF3N5O4.C35H41ClF3N5O5.C35H42ClN5O4.C34H41ClF3N5O5.C34H39ClN6O4.C33H33ClN6O5/c1-41-32-27(36(38,39)40)19-23(20-28(32)37)21-30(33(47)44-15-9-25(10-16-44)24-7-13-43(2)14-8-24)49-34(48)45-17-11-35(12-18-45)22-31(46)42-29-6-4-3-5-26(29)35;36-26-18-22(17-25(31(26)46)35(37,38)39)19-29(32(47)43-15-13-42(14-16-43)28-21-41-9-5-23(28)6-10-41)49-33(48)44-11-7-34(8-12-44)20-30(45)40-27-4-2-1-3-24(27)34;1-2-25-20-24(21-28(36)32(25)37)22-30(33(43)40-16-10-26(11-17-40)39-14-6-3-7-15-39)45-34(44)41-18-12-35(13-19-41)23-31(42)38-29-9-5-4-8-27(29)35;1-40-14-16-41(17-15-40)23-6-10-42(11-7-23)31(46)28(20-22-18-25(34(36,37)38)30(45)26(35)19-22)48-32(47)43-12-8-33(9-13-43)21-29(44)39-27-5-3-2-4-24(27)33;1-2-24-19-23(20-27(35)31(24)36)21-29(32(43)40-17-15-39(16-18-40)25-7-11-37-12-8-25)45-33(44)41-13-9-34(10-14-41)22-30(42)38-28-6-4-3-5-26(28)34;1-2-23-19-22(20-26(34)29(23)35)21-28(30(41)39-17-15-38(16-18-39)24-7-11-36-12-8-24)44-32(43)40-13-9-33(10-14-40)25-5-3-4-6-27(25)37-31(42)45-33/h3-6,19-20,24-25,30,41H,7-18,21-22H2,1-2H3,(H,42,46);1-4,17-18,23,28-29,46H,5-16,19-21H2,(H,40,45);1,4-5,8-9,20-21,26,30H,3,6-7,10-19,22-23,37H2,(H,38,42);2-5,18-19,23,28,45H,6-17,20-21H2,1H3,(H,39,44);3-8,11-12,19-20,29H,2,9-10,13-18,21-22,36H2,1H3,(H,38,42);1,3-8,11-12,19-20,28H,9-10,13-18,21,35H2,(H,37,42)/t30-;28?,29-;30-;28-;29-;28-/m111111/s1
• InChIKey: SYEBGINGTXTQJR-MVFCRWHMSA-N
• XLogP: 29.56
• TPSA: 665.18 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 41
• Rotatable Bonds: 32
• Heavy Atoms: 281
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3993.10
LogP ≤ 5	29.56
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-(4-amino-3-chloro-5-ethylphenyl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-(4-amino-3-chloro-5-ethynylphenyl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-(4-amino-3-chloro-5-ethynylphenyl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate;[(2R)-1-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]-1-oxopropan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1-oxopropan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-[3-chloro-4-(methylamino)-5-(trifluoromethyl)phenyl]-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate?

The IUPAC name of [(2R)-3-(4-amino-3-chloro-5-ethylphenyl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-(4-amino-3-chloro-5-ethynylphenyl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-(4-amino-3-chloro-5-ethynylphenyl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate;[(2R)-1-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]-1-oxopropan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1-oxopropan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-[3-chloro-4-(methylamino)-5-(trifluoromethyl)phenyl]-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate (CID 160970360) is [(2R)-3-(4-amino-3-chloro-5-ethylphenyl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-(4-amino-3-chloro-5-ethynylphenyl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-(4-amino-3-chloro-5-ethynylphenyl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate;[(2R)-1-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]-1-oxopropan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1-oxopropan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-[3-chloro-4-(methylamino)-5-(trifluoromethyl)phenyl]-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate.

What is the SMILES notation for [(2R)-3-(4-amino-3-chloro-5-ethylphenyl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-(4-amino-3-chloro-5-ethynylphenyl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-(4-amino-3-chloro-5-ethynylphenyl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate;[(2R)-1-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]-1-oxopropan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1-oxopropan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-[3-chloro-4-(methylamino)-5-(trifluoromethyl)phenyl]-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate?

The canonical SMILES for [(2R)-3-(4-amino-3-chloro-5-ethylphenyl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-(4-amino-3-chloro-5-ethynylphenyl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-(4-amino-3-chloro-5-ethynylphenyl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate;[(2R)-1-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]-1-oxopropan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1-oxopropan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-[3-chloro-4-(methylamino)-5-(trifluoromethyl)phenyl]-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate is C#Cc1cc(C[C@@H](OC(=O)N2CCC3(CC2)CC(=O)Nc2ccccc23)C(=O)N2CCC(N3CCCCC3)CC2)cc(Cl)c1N.C#Cc1cc(C[C@@H](OC(=O)N2CCC3(CC2)OC(=O)Nc2ccccc23)C(=O)N2CCN(c3ccncc3)CC2)cc(Cl)c1N.CCc1cc(C[C@@H](OC(=O)N2CCC3(CC2)CC(=O)Nc2ccccc23)C(=O)N2CCN(c3ccncc3)CC2)cc(Cl)c1N.CN1CCN(C2CCN(C(=O)[C@@H](Cc3cc(Cl)c(O)c(C(F)(F)F)c3)OC(=O)N3CCC4(CC3)CC(=O)Nc3ccccc34)CC2)CC1.CNc1c(Cl)cc(C[C@@H](OC(=O)N2CCC3(CC2)CC(=O)Nc2ccccc23)C(=O)N2CCC(C3CCN(C)CC3)CC2)cc1C(F)(F)F.O=C1CC2(CCN(C(=O)O[C@H](Cc3cc(Cl)c(O)c(C(F)(F)F)c3)C(=O)N3CCN(C4CN5CCC4CC5)CC3)CC2)c2ccccc2N1.

What is the InChIKey of [(2R)-3-(4-amino-3-chloro-5-ethylphenyl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-(4-amino-3-chloro-5-ethynylphenyl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-(4-amino-3-chloro-5-ethynylphenyl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate;[(2R)-1-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]-1-oxopropan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1-oxopropan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-[3-chloro-4-(methylamino)-5-(trifluoromethyl)phenyl]-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate?

The InChIKey is SYEBGINGTXTQJR-MVFCRWHMSA-N. The full InChI is InChI=1S/C36H45ClF3N5O4.C35H41ClF3N5O5.C35H42ClN5O4.C34H41ClF3N5O5.C34H39ClN6O4.C33H33ClN6O5/c1-41-32-27(36(38,39)40)19-23(20-28(32)37)21-30(33(47)44-15-9-25(10-16-44)24-7-13-43(2)14-8-24)49-34(48)45-17-11-35(12-18-45)22-31(46)42-29-6-4-3-5-26(29)35;36-26-18-22(17-25(31(26)46)35(37,38)39)19-29(32(47)43-15-13-42(14-16-43)28-21-41-9-5-23(28)6-10-41)49-33(48)44-11-7-34(8-12-44)20-30(45)40-27-4-2-1-3-24(27)34;1-2-25-20-24(21-28(36)32(25)37)22-30(33(43)40-16-10-26(11-17-40)39-14-6-3-7-15-39)45-34(44)41-18-12-35(13-19-41)23-31(42)38-29-9-5-4-8-27(29)35;1-40-14-16-41(17-15-40)23-6-10-42(11-7-23)31(46)28(20-22-18-25(34(36,37)38)30(45)26(35)19-22)48-32(47)43-12-8-33(9-13-43)21-29(44)39-27-5-3-2-4-24(27)33;1-2-24-19-23(20-27(35)31(24)36)21-29(32(43)40-17-15-39(16-18-40)25-7-11-37-12-8-25)45-33(44)41-13-9-34(10-14-41)22-30(42)38-28-6-4-3-5-26(28)34;1-2-23-19-22(20-26(34)29(23)35)21-28(30(41)39-17-15-38(16-18-39)24-7-11-36-12-8-24)44-32(43)40-13-9-33(10-14-40)25-5-3-4-6-27(25)37-31(42)45-33/h3-6,19-20,24-25,30,41H,7-18,21-22H2,1-2H3,(H,42,46);1-4,17-18,23,28-29,46H,5-16,19-21H2,(H,40,45);1,4-5,8-9,20-21,26,30H,3,6-7,10-19,22-23,37H2,(H,38,42);2-5,18-19,23,28,45H,6-17,20-21H2,1H3,(H,39,44);3-8,11-12,19-20,29H,2,9-10,13-18,21-22,36H2,1H3,(H,38,42);1,3-8,11-12,19-20,28H,9-10,13-18,21,35H2,(H,37,42)/t30-;28?,29-;30-;28-;29-;28-/m111111/s1.

What are the key properties of [(2R)-3-(4-amino-3-chloro-5-ethylphenyl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-(4-amino-3-chloro-5-ethynylphenyl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-(4-amino-3-chloro-5-ethynylphenyl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate;[(2R)-1-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]-1-oxopropan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1-oxopropan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-[3-chloro-4-(methylamino)-5-(trifluoromethyl)phenyl]-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate?

[(2R)-3-(4-amino-3-chloro-5-ethylphenyl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-(4-amino-3-chloro-5-ethynylphenyl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-(4-amino-3-chloro-5-ethynylphenyl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate;[(2R)-1-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]-1-oxopropan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1-oxopropan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-[3-chloro-4-(methylamino)-5-(trifluoromethyl)phenyl]-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate has a molecular weight of 3993.10 g/mol, XLogP of 29.56, 32 rotatable bonds, 12 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-3-(4-amino-3-chloro-5-ethylphenyl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-(4-amino-3-chloro-5-ethynylphenyl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-(4-amino-3-chloro-5-ethynylphenyl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate;[(2R)-1-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]-1-oxopropan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1-oxopropan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate;[(2R)-3-[3-chloro-4-(methylamino)-5-(trifluoromethyl)phenyl]-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 160970360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).