About [(3'S,5R)-2-chloro-1-oxidospiro[7,8-dihydro-6H-quinolin-1-ium-5,4'-pyrrolidine]-3'-yl]-[(2R,4S)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2'-(4-fluorophenyl)spiro[indene-1,4'-piperidine]-1'-yl]methanone;[(5R)-3-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]methanone;[(8S)-2-chlorospiro[6,7-dihydro-5H-quinoline-8,4'-pyrrolidine]-3'-yl]-[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(2'-phenylspiro[indene-1,4'-piperidine]-1'-yl)methanone;[(2R,4S)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-ethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone
[(3'S,5R)-2-chloro-1-oxidospiro[7,8-dihydro-6H-quinolin-1-ium-5,4'-pyrrolidine]-3'-yl]-[(2R,4S)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2'-(4-fluorophenyl)spiro[indene-1,4'-piperidine]-1'-yl]methanone;[(5R)-3-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]methanone;[(8S)-2-chlorospiro[6,7-dihydro-5H-quinoline-8,4'-pyrrolidine]-3'-yl]-[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(2'-phenylspiro[indene-1,4'-piperidine]-1'-yl)methanone;[(2R,4S)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-ethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone (PubChem CID 158712042) has the molecular formula C176H192Cl5FN18O7
and a molecular weight of 2867.85 g/mol. Its IUPAC name is [(3'S,5R)-2-chloro-1-oxidospiro[7,8-dihydro-6H-quinolin-1-ium-5,4'-pyrrolidine]-3'-yl]-[(2R,4S)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2'-(4-fluorophenyl)spiro[indene-1,4'-piperidine]-1'-yl]methanone;[(5R)-3-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]methanone;[(8S)-2-chlorospiro[6,7-dihydro-5H-quinoline-8,4'-pyrrolidine]-3'-yl]-[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(2'-phenylspiro[indene-1,4'-piperidine]-1'-yl)methanone;[(2R,4S)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-ethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone.
Frequently Asked Questions
What is the IUPAC name of [(3'S,5R)-2-chloro-1-oxidospiro[7,8-dihydro-6H-quinolin-1-ium-5,4'-pyrrolidine]-3'-yl]-[(2R,4S)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2'-(4-fluorophenyl)spiro[indene-1,4'-piperidine]-1'-yl]methanone;[(5R)-3-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]methanone;[(8S)-2-chlorospiro[6,7-dihydro-5H-quinoline-8,4'-pyrrolidine]-3'-yl]-[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(2'-phenylspiro[indene-1,4'-piperidine]-1'-yl)methanone;[(2R,4S)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-ethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone?
The IUPAC name of [(3'S,5R)-2-chloro-1-oxidospiro[7,8-dihydro-6H-quinolin-1-ium-5,4'-pyrrolidine]-3'-yl]-[(2R,4S)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2'-(4-fluorophenyl)spiro[indene-1,4'-piperidine]-1'-yl]methanone;[(5R)-3-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]methanone;[(8S)-2-chlorospiro[6,7-dihydro-5H-quinoline-8,4'-pyrrolidine]-3'-yl]-[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(2'-phenylspiro[indene-1,4'-piperidine]-1'-yl)methanone;[(2R,4S)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-ethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone (CID 158712042) is [(3'S,5R)-2-chloro-1-oxidospiro[7,8-dihydro-6H-quinolin-1-ium-5,4'-pyrrolidine]-3'-yl]-[(2R,4S)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2'-(4-fluorophenyl)spiro[indene-1,4'-piperidine]-1'-yl]methanone;[(5R)-3-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]methanone;[(8S)-2-chlorospiro[6,7-dihydro-5H-quinoline-8,4'-pyrrolidine]-3'-yl]-[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(2'-phenylspiro[indene-1,4'-piperidine]-1'-yl)methanone;[(2R,4S)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-ethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone.
What is the SMILES notation for [(3'S,5R)-2-chloro-1-oxidospiro[7,8-dihydro-6H-quinolin-1-ium-5,4'-pyrrolidine]-3'-yl]-[(2R,4S)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2'-(4-fluorophenyl)spiro[indene-1,4'-piperidine]-1'-yl]methanone;[(5R)-3-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]methanone;[(8S)-2-chlorospiro[6,7-dihydro-5H-quinoline-8,4'-pyrrolidine]-3'-yl]-[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(2'-phenylspiro[indene-1,4'-piperidine]-1'-yl)methanone;[(2R,4S)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-ethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone?
The canonical SMILES for [(3'S,5R)-2-chloro-1-oxidospiro[7,8-dihydro-6H-quinolin-1-ium-5,4'-pyrrolidine]-3'-yl]-[(2R,4S)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2'-(4-fluorophenyl)spiro[indene-1,4'-piperidine]-1'-yl]methanone;[(5R)-3-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]methanone;[(8S)-2-chlorospiro[6,7-dihydro-5H-quinoline-8,4'-pyrrolidine]-3'-yl]-[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(2'-phenylspiro[indene-1,4'-piperidine]-1'-yl)methanone;[(2R,4S)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-ethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone is CCc1ccc2c(n1)CCC[C@]21CNC[C@H]1C(=O)N1CC[C@H](c2ccccc2)C[C@@H]1c1ccccc1.C[C@@H]1CCN(C(=O)C2CNC[C@]23CCCc2ccc(Cl)nc23)[C@H](c2ccccc2)C1.C[C@@H]1CCN(C(=O)C2CNC[C@]23CCCc2ncc(Cl)cc23)[C@H](c2ccccc2)C1.O=C([C@@H]1CNC[C@]12CCCc1c2ccc(Cl)[n+]1[O-])N1CC[C@H](c2ccccc2)C[C@@H]1c1ccccc1.O=C([C@@H]1CNC[C@]12CCCc1nc(Cl)ccc12)N1CCC2(C=Cc3ccccc32)CC1c1ccc(F)cc1.O=C([C@@H]1CNC[C@]12CCCc1nc(Cl)ccc12)N1CCC2(C=Cc3ccccc32)CC1c1ccccc1.
What is the InChIKey of [(3'S,5R)-2-chloro-1-oxidospiro[7,8-dihydro-6H-quinolin-1-ium-5,4'-pyrrolidine]-3'-yl]-[(2R,4S)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2'-(4-fluorophenyl)spiro[indene-1,4'-piperidine]-1'-yl]methanone;[(5R)-3-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]methanone;[(8S)-2-chlorospiro[6,7-dihydro-5H-quinoline-8,4'-pyrrolidine]-3'-yl]-[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(2'-phenylspiro[indene-1,4'-piperidine]-1'-yl)methanone;[(2R,4S)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-ethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone?
The InChIKey is IIVRLHAZWWRIDN-NSXGSSNZSA-N. The full InChI is InChI=1S/C32H31ClFN3O.C32H32ClN3O.C32H37N3O.C30H32ClN3O2.2C25H30ClN3O/c33-29-12-11-25-27(36-29)6-3-14-32(25)20-35-19-26(32)30(38)37-17-16-31(15-13-21-4-1-2-5-24(21)31)18-28(37)22-7-9-23(34)10-8-22;33-29-13-12-25-27(35-29)11-6-15-32(25)21-34-20-26(32)30(37)36-18-17-31(16-14-22-7-4-5-10-24(22)31)19-28(36)23-8-2-1-3-9-23;1-2-26-15-16-27-29(34-26)14-9-18-32(27)22-33-21-28(32)31(36)35-19-17-25(23-10-5-3-6-11-23)20-30(35)24-12-7-4-8-13-24;31-28-14-13-24-26(34(28)36)12-7-16-30(24)20-32-19-25(30)29(35)33-17-15-23(21-8-3-1-4-9-21)18-27(33)22-10-5-2-6-11-22;1-17-11-13-29(21(14-17)18-6-3-2-4-7-18)24(30)20-15-27-16-25(20)12-5-8-19-9-10-22(26)28-23(19)25;1-17-9-11-29(23(12-17)18-6-3-2-4-7-18)24(30)21-15-27-16-25(21)10-5-8-22-20(25)13-19(26)14-28-22/h1-2,4-5,7-13,15,26,28,35H,3,6,14,16-20H2;1-5,7-10,12-14,16,26,28,34H,6,11,15,17-21H2;3-8,10-13,15-16,25,28,30,33H,2,9,14,17-22H2,1H3;1-6,8-11,13-14,23,25,27,32H,7,12,15-20H2;2-4,6-7,9-10,17,20-21,27H,5,8,11-16H2,1H3;2-4,6-7,13-14,17,21,23,27H,5,8-12,15-16H2,1H3/t2*26-,28?,31?,32-;25-,28-,30+,32-;23-,25-,27+,30-;17-,20?,21+,25-;17-,21?,23+,25+/m000011/s1.
What are the key properties of [(3'S,5R)-2-chloro-1-oxidospiro[7,8-dihydro-6H-quinolin-1-ium-5,4'-pyrrolidine]-3'-yl]-[(2R,4S)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2'-(4-fluorophenyl)spiro[indene-1,4'-piperidine]-1'-yl]methanone;[(5R)-3-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]methanone;[(8S)-2-chlorospiro[6,7-dihydro-5H-quinoline-8,4'-pyrrolidine]-3'-yl]-[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(2'-phenylspiro[indene-1,4'-piperidine]-1'-yl)methanone;[(2R,4S)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-ethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone?
[(3'S,5R)-2-chloro-1-oxidospiro[7,8-dihydro-6H-quinolin-1-ium-5,4'-pyrrolidine]-3'-yl]-[(2R,4S)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2'-(4-fluorophenyl)spiro[indene-1,4'-piperidine]-1'-yl]methanone;[(5R)-3-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]methanone;[(8S)-2-chlorospiro[6,7-dihydro-5H-quinoline-8,4'-pyrrolidine]-3'-yl]-[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(2'-phenylspiro[indene-1,4'-piperidine]-1'-yl)methanone;[(2R,4S)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-ethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone has a molecular weight of 2867.85 g/mol, XLogP of 31.41, 15 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for [(3'S,5R)-2-chloro-1-oxidospiro[7,8-dihydro-6H-quinolin-1-ium-5,4'-pyrrolidine]-3'-yl]-[(2R,4S)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2'-(4-fluorophenyl)spiro[indene-1,4'-piperidine]-1'-yl]methanone;[(5R)-3-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]methanone;[(8S)-2-chlorospiro[6,7-dihydro-5H-quinoline-8,4'-pyrrolidine]-3'-yl]-[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(2'-phenylspiro[indene-1,4'-piperidine]-1'-yl)methanone;[(2R,4S)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-ethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone is sourced from PubChem (CID 158712042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).