1-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperidin-4-ol;[(2R,4aR,5R,10bR)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;1-[(2R,4aS,5R,10bS)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;1-[(2S,4aR,5S,10bR)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;tert-butyl 2-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylamino]acetate;methane

C111H133Cl2F8N9O9 — CID 158063943

IUPAC1-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperidin-4-ol;[(2R,4aR,5R,10bR)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;1-[(2R,4aS,5R,10bS)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;1-[(2S,4aR,5S,10bR)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;tert-butyl 2-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylamino]acetate;methane
SMILESC.C.C.CC(C)(C)OC(=O)CNC[C@H]1CC[C@@H]2[C@H](O1)c1cc(Cl)cc(F)c1N[C@H]2c1ccccc1.CNC[C@@H]1CC[C@@H]2[C@@H](c3ccccc3)Nc3c(F)cc(F)cc3[C@@H]2O1.CNC[C@H]1CC[C@@H]2[C@H](O1)c1cc(F)cc(F)c1N[C@H]2c1ccccc1.OC1CCN(C[C@H]2CC[C@@H]3[C@H](O2)c2cc(Cl)cc(F)c2N[C@H]3c2ccccc2)CC1.OC[C@H]1CC[C@@H]2[C@H](c3ccccc3)Nc3c(F)cc(F)cc3[C@@H]2O1
InChIInChI=1S/C25H30ClFN2O3.C24H28ClFN2O2.2C20H22F2N2O.C19H19F2NO2.3CH4/c1-25(2,3)32-21(30)14-28-13-17-9-10-18-22(15-7-5-4-6-8-15)29-23-19(24(18)31-17)11-16(26)12-20(23)27;25-16-12-20-23(21(26)13-16)27-22(15-4-2-1-3-5-15)19-7-6-18(30-24(19)20)14-28-10-8-17(29)9-11-28;2*1-23-11-14-7-8-15-18(12-5-3-2-4-6-12)24-19-16(20(15)25-14)9-13(21)10-17(19)22;20-12-8-15-18(16(21)9-12)22-17(11-4-2-1-3-5-11)14-7-6-13(10-23)24-19(14)15;;;/h4-8,11-12,17-18,22,24,28-29H,9-10,13-14H2,1-3H3;1-5,12-13,17-19,22,24,27,29H,6-11,14H2;2*2-6,9-10,14-15,18,20,23-24H,7-8,11H2,1H3;1-5,8-9,13-14,17,19,22-23H,6-7,10H2;3*1H4/t17-,18+,22+,24+;18-,19+,22+,24+;2*14-,15+,18+,20+;13-,14-,17+,19-;;;/m11101.../s1
InChIKeyFKZNKRLJZCXPLI-JSKLQJLOSA-N
MW1960.23 g/mol
LogP24.60
Rot. Bonds16

About 1-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperidin-4-ol;[(2R,4aR,5R,10bR)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;1-[(2R,4aS,5R,10bS)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;1-[(2S,4aR,5S,10bR)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;tert-butyl 2-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylamino]acetate;methane

1-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperidin-4-ol;[(2R,4aR,5R,10bR)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;1-[(2R,4aS,5R,10bS)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;1-[(2S,4aR,5S,10bR)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;tert-butyl 2-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylamino]acetate;methane (PubChem CID 158063943) has the molecular formula C111H133Cl2F8N9O9 and a molecular weight of 1960.23 g/mol. Its IUPAC name is 1-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperidin-4-ol;[(2R,4aR,5R,10bR)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;1-[(2R,4aS,5R,10bS)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;1-[(2S,4aR,5S,10bR)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;tert-butyl 2-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylamino]acetate;methane.

Molecular Properties

Compound Name1-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperidin-4-ol;[(2R,4aR,5R,10bR)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;1-[(2R,4aS,5R,10bS)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;1-[(2S,4aR,5S,10bR)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;tert-butyl 2-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylamino]acetate;methane
PubChem CID158063943
Molecular FormulaC111H133Cl2F8N9O9
Molecular Weight1960.23 g/mol
Exact Mass1957.95
IUPAC Name1-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperidin-4-ol;[(2R,4aR,5R,10bR)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;1-[(2R,4aS,5R,10bS)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;1-[(2S,4aR,5S,10bR)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;tert-butyl 2-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylamino]acetate;methane
SMILESC.C.C.CC(C)(C)OC(=O)CNC[C@H]1CC[C@@H]2[C@H](O1)c1cc(Cl)cc(F)c1N[C@H]2c1ccccc1.CNC[C@@H]1CC[C@@H]2[C@@H](c3ccccc3)Nc3c(F)cc(F)cc3[C@@H]2O1.CNC[C@H]1CC[C@@H]2[C@H](O1)c1cc(F)cc(F)c1N[C@H]2c1ccccc1.OC1CCN(C[C@H]2CC[C@@H]3[C@H](O2)c2cc(Cl)cc(F)c2N[C@H]3c2ccccc2)CC1.OC[C@H]1CC[C@@H]2[C@H](c3ccccc3)Nc3c(F)cc(F)cc3[C@@H]2O1
InChIInChI=1S/C25H30ClFN2O3.C24H28ClFN2O2.2C20H22F2N2O.C19H19F2NO2.3CH4/c1-25(2,3)32-21(30)14-28-13-17-9-10-18-22(15-7-5-4-6-8-15)29-23-19(24(18)31-17)11-16(26)12-20(23)27;25-16-12-20-23(21(26)13-16)27-22(15-4-2-1-3-5-15)19-7-6-18(30-24(19)20)14-28-10-8-17(29)9-11-28;2*1-23-11-14-7-8-15-18(12-5-3-2-4-6-12)24-19-16(20(15)25-14)9-13(21)10-17(19)22;20-12-8-15-18(16(21)9-12)22-17(11-4-2-1-3-5-11)14-7-6-13(10-23)24-19(14)15;;;/h4-8,11-12,17-18,22,24,28-29H,9-10,13-14H2,1-3H3;1-5,12-13,17-19,22,24,27,29H,6-11,14H2;2*2-6,9-10,14-15,18,20,23-24H,7-8,11H2,1H3;1-5,8-9,13-14,17,19,22-23H,6-7,10H2;3*1H4/t17-,18+,22+,24+;18-,19+,22+,24+;2*14-,15+,18+,20+;13-,14-,17+,19-;;;/m11101.../s1
InChIKeyFKZNKRLJZCXPLI-JSKLQJLOSA-N
XLogP24.60
TPSA212.39 Ų
H-Bond Donors10
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001960.23
LogP ≤ 524.60
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1018

Analyze 1-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperidin-4-ol;[(2R,4aR,5R,10bR)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;1-[(2R,4aS,5R,10bS)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;1-[(2S,4aR,5S,10bR)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;tert-butyl 2-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylamino]acetate;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperidin-4-ol;[(2R,4aR,5R,10bR)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;1-[(2R,4aS,5R,10bS)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;1-[(2S,4aR,5S,10bR)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;tert-butyl 2-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylamino]acetate;methane?
The IUPAC name of 1-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperidin-4-ol;[(2R,4aR,5R,10bR)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;1-[(2R,4aS,5R,10bS)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;1-[(2S,4aR,5S,10bR)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;tert-butyl 2-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylamino]acetate;methane (CID 158063943) is 1-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperidin-4-ol;[(2R,4aR,5R,10bR)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;1-[(2R,4aS,5R,10bS)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;1-[(2S,4aR,5S,10bR)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;tert-butyl 2-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylamino]acetate;methane.
What is the SMILES notation for 1-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperidin-4-ol;[(2R,4aR,5R,10bR)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;1-[(2R,4aS,5R,10bS)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;1-[(2S,4aR,5S,10bR)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;tert-butyl 2-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylamino]acetate;methane?
The canonical SMILES for 1-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperidin-4-ol;[(2R,4aR,5R,10bR)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;1-[(2R,4aS,5R,10bS)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;1-[(2S,4aR,5S,10bR)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;tert-butyl 2-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylamino]acetate;methane is C.C.C.CC(C)(C)OC(=O)CNC[C@H]1CC[C@@H]2[C@H](O1)c1cc(Cl)cc(F)c1N[C@H]2c1ccccc1.CNC[C@@H]1CC[C@@H]2[C@@H](c3ccccc3)Nc3c(F)cc(F)cc3[C@@H]2O1.CNC[C@H]1CC[C@@H]2[C@H](O1)c1cc(F)cc(F)c1N[C@H]2c1ccccc1.OC1CCN(C[C@H]2CC[C@@H]3[C@H](O2)c2cc(Cl)cc(F)c2N[C@H]3c2ccccc2)CC1.OC[C@H]1CC[C@@H]2[C@H](c3ccccc3)Nc3c(F)cc(F)cc3[C@@H]2O1.
What is the InChIKey of 1-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperidin-4-ol;[(2R,4aR,5R,10bR)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;1-[(2R,4aS,5R,10bS)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;1-[(2S,4aR,5S,10bR)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;tert-butyl 2-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylamino]acetate;methane?
The InChIKey is FKZNKRLJZCXPLI-JSKLQJLOSA-N. The full InChI is InChI=1S/C25H30ClFN2O3.C24H28ClFN2O2.2C20H22F2N2O.C19H19F2NO2.3CH4/c1-25(2,3)32-21(30)14-28-13-17-9-10-18-22(15-7-5-4-6-8-15)29-23-19(24(18)31-17)11-16(26)12-20(23)27;25-16-12-20-23(21(26)13-16)27-22(15-4-2-1-3-5-15)19-7-6-18(30-24(19)20)14-28-10-8-17(29)9-11-28;2*1-23-11-14-7-8-15-18(12-5-3-2-4-6-12)24-19-16(20(15)25-14)9-13(21)10-17(19)22;20-12-8-15-18(16(21)9-12)22-17(11-4-2-1-3-5-11)14-7-6-13(10-23)24-19(14)15;;;/h4-8,11-12,17-18,22,24,28-29H,9-10,13-14H2,1-3H3;1-5,12-13,17-19,22,24,27,29H,6-11,14H2;2*2-6,9-10,14-15,18,20,23-24H,7-8,11H2,1H3;1-5,8-9,13-14,17,19,22-23H,6-7,10H2;3*1H4/t17-,18+,22+,24+;18-,19+,22+,24+;2*14-,15+,18+,20+;13-,14-,17+,19-;;;/m11101.../s1.
What are the key properties of 1-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperidin-4-ol;[(2R,4aR,5R,10bR)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;1-[(2R,4aS,5R,10bS)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;1-[(2S,4aR,5S,10bR)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;tert-butyl 2-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylamino]acetate;methane?
1-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperidin-4-ol;[(2R,4aR,5R,10bR)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;1-[(2R,4aS,5R,10bS)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;1-[(2S,4aR,5S,10bR)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;tert-butyl 2-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylamino]acetate;methane has a molecular weight of 1960.23 g/mol, XLogP of 24.60, 16 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperidin-4-ol;[(2R,4aR,5R,10bR)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;1-[(2R,4aS,5R,10bS)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;1-[(2S,4aR,5S,10bR)-7,9-difluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;tert-butyl 2-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylamino]acetate;methane is sourced from PubChem (CID 158063943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).