(4aS,5R,10bS)-6-benzyl-5-phenyl-9-(trifluoromethyl)-2,3,4,4a,5,10b-hexahydropyrano[3,2-c]quinoline;[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl N-[3-[2-(dimethylamino)ethylamino]propyl]carbamate;[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylhydrazine;2-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl-methylamino]ethanol;methane;5-phenyl-9-pyrrolidin-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline

C122H148F12N12O8 — CID 158447803

About (4aS,5R,10bS)-6-benzyl-5-phenyl-9-(trifluoromethyl)-2,3,4,4a,5,10b-hexahydropyrano[3,2-c]quinoline;[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl N-[3-[2-(dimethylamino)ethylamino]propyl]carbamate;[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylhydrazine;2-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl-methylamino]ethanol;methane;5-phenyl-9-pyrrolidin-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline

(4aS,5R,10bS)-6-benzyl-5-phenyl-9-(trifluoromethyl)-2,3,4,4a,5,10b-hexahydropyrano[3,2-c]quinoline;[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl N-[3-[2-(dimethylamino)ethylamino]propyl]carbamate;[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylhydrazine;2-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl-methylamino]ethanol;methane;5-phenyl-9-pyrrolidin-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline (PubChem CID 158447803) has the molecular formula C122H148F12N12O8 and a molecular weight of 2138.58 g/mol. Its IUPAC name is (4aS,5R,10bS)-6-benzyl-5-phenyl-9-(trifluoromethyl)-2,3,4,4a,5,10b-hexahydropyrano[3,2-c]quinoline;[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl N-[3-[2-(dimethylamino)ethylamino]propyl]carbamate;[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylhydrazine;2-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl-methylamino]ethanol;methane;5-phenyl-9-pyrrolidin-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline.

Molecular Properties

• Compound Name: (4aS,5R,10bS)-6-benzyl-5-phenyl-9-(trifluoromethyl)-2,3,4,4a,5,10b-hexahydropyrano[3,2-c]quinoline;[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl N-[3-[2-(dimethylamino)ethylamino]propyl]carbamate;[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylhydrazine;2-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl-methylamino]ethanol;methane;5-phenyl-9-pyrrolidin-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
• PubChem CID: 158447803
• Molecular Formula: C122H148F12N12O8
• Molecular Weight: 2138.58 g/mol
• Exact Mass: 2137.14
• IUPAC Name: (4aS,5R,10bS)-6-benzyl-5-phenyl-9-(trifluoromethyl)-2,3,4,4a,5,10b-hexahydropyrano[3,2-c]quinoline;[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl N-[3-[2-(dimethylamino)ethylamino]propyl]carbamate;[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylhydrazine;2-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl-methylamino]ethanol;methane;5-phenyl-9-pyrrolidin-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
• SMILES: C.C.C.CN(C)CCNCCCNC(=O)OC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.CN(CCO)C[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.FC(F)(F)c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1ccccc1)N2Cc1ccccc1.NNC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.c1ccc(C2Nc3ccc(N4CCCC4)cc3C3OCCCC23)cc1
• InChI: InChI=1S/C28H37F3N4O3.C26H24F3NO.C23H27F3N2O2.C22H26N2O.C20H22F3N3O.3CH4/c1-35(2)16-15-32-13-6-14-33-27(36)37-18-21-10-11-22-25(19-7-4-3-5-8-19)34-24-12-9-20(28(29,30)31)17-23(24)26(22)38-21;27-26(28,29)20-13-14-23-22(16-20)25-21(12-7-15-31-25)24(19-10-5-2-6-11-19)30(23)17-18-8-3-1-4-9-18;1-28(11-12-29)14-17-8-9-18-21(15-5-3-2-4-6-15)27-20-10-7-16(23(24,25)26)13-19(20)22(18)30-17;1-2-7-16(8-3-1)21-18-9-6-14-25-22(18)19-15-17(10-11-20(19)23-21)24-12-4-5-13-24;21-20(22,23)13-6-9-17-16(10-13)19-15(8-7-14(27-19)11-25-24)18(26-17)12-4-2-1-3-5-12;;;/h3-5,7-9,12,17,21-22,25-26,32,34H,6,10-11,13-16,18H2,1-2H3,(H,33,36);1-6,8-11,13-14,16,21,24-25H,7,12,15,17H2;2-7,10,13,17-18,21-22,27,29H,8-9,11-12,14H2,1H3;1-3,7-8,10-11,15,18,21-23H,4-6,9,12-14H2;1-6,9-10,14-15,18-19,25-26H,7-8,11,24H2;3*1H4/t21-,22+,25+,26+;21-,24-,25-;17-,18+,21+,22+;;14-,15+,18+,19+;;;/m101.1.../s1
• InChIKey: HDPIBXKAEWLWOB-PJIUULTFSA-N
• XLogP: 27.54
• TPSA: 215.87 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 19
• Rotatable Bonds: 23
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2138.58
LogP ≤ 5	27.54
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4aS,5R,10bS)-6-benzyl-5-phenyl-9-(trifluoromethyl)-2,3,4,4a,5,10b-hexahydropyrano[3,2-c]quinoline;[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl N-[3-[2-(dimethylamino)ethylamino]propyl]carbamate;[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylhydrazine;2-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl-methylamino]ethanol;methane;5-phenyl-9-pyrrolidin-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?

The IUPAC name of (4aS,5R,10bS)-6-benzyl-5-phenyl-9-(trifluoromethyl)-2,3,4,4a,5,10b-hexahydropyrano[3,2-c]quinoline;[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl N-[3-[2-(dimethylamino)ethylamino]propyl]carbamate;[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylhydrazine;2-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl-methylamino]ethanol;methane;5-phenyl-9-pyrrolidin-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline (CID 158447803) is (4aS,5R,10bS)-6-benzyl-5-phenyl-9-(trifluoromethyl)-2,3,4,4a,5,10b-hexahydropyrano[3,2-c]quinoline;[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl N-[3-[2-(dimethylamino)ethylamino]propyl]carbamate;[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylhydrazine;2-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl-methylamino]ethanol;methane;5-phenyl-9-pyrrolidin-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline.

What is the SMILES notation for (4aS,5R,10bS)-6-benzyl-5-phenyl-9-(trifluoromethyl)-2,3,4,4a,5,10b-hexahydropyrano[3,2-c]quinoline;[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl N-[3-[2-(dimethylamino)ethylamino]propyl]carbamate;[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylhydrazine;2-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl-methylamino]ethanol;methane;5-phenyl-9-pyrrolidin-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?

The canonical SMILES for (4aS,5R,10bS)-6-benzyl-5-phenyl-9-(trifluoromethyl)-2,3,4,4a,5,10b-hexahydropyrano[3,2-c]quinoline;[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl N-[3-[2-(dimethylamino)ethylamino]propyl]carbamate;[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylhydrazine;2-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl-methylamino]ethanol;methane;5-phenyl-9-pyrrolidin-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline is C.C.C.CN(C)CCNCCCNC(=O)OC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.CN(CCO)C[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.FC(F)(F)c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1ccccc1)N2Cc1ccccc1.NNC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.c1ccc(C2Nc3ccc(N4CCCC4)cc3C3OCCCC23)cc1.

What is the InChIKey of (4aS,5R,10bS)-6-benzyl-5-phenyl-9-(trifluoromethyl)-2,3,4,4a,5,10b-hexahydropyrano[3,2-c]quinoline;[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl N-[3-[2-(dimethylamino)ethylamino]propyl]carbamate;[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylhydrazine;2-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl-methylamino]ethanol;methane;5-phenyl-9-pyrrolidin-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?

The InChIKey is HDPIBXKAEWLWOB-PJIUULTFSA-N. The full InChI is InChI=1S/C28H37F3N4O3.C26H24F3NO.C23H27F3N2O2.C22H26N2O.C20H22F3N3O.3CH4/c1-35(2)16-15-32-13-6-14-33-27(36)37-18-21-10-11-22-25(19-7-4-3-5-8-19)34-24-12-9-20(28(29,30)31)17-23(24)26(22)38-21;27-26(28,29)20-13-14-23-22(16-20)25-21(12-7-15-31-25)24(19-10-5-2-6-11-19)30(23)17-18-8-3-1-4-9-18;1-28(11-12-29)14-17-8-9-18-21(15-5-3-2-4-6-15)27-20-10-7-16(23(24,25)26)13-19(20)22(18)30-17;1-2-7-16(8-3-1)21-18-9-6-14-25-22(18)19-15-17(10-11-20(19)23-21)24-12-4-5-13-24;21-20(22,23)13-6-9-17-16(10-13)19-15(8-7-14(27-19)11-25-24)18(26-17)12-4-2-1-3-5-12;;;/h3-5,7-9,12,17,21-22,25-26,32,34H,6,10-11,13-16,18H2,1-2H3,(H,33,36);1-6,8-11,13-14,16,21,24-25H,7,12,15,17H2;2-7,10,13,17-18,21-22,27,29H,8-9,11-12,14H2,1H3;1-3,7-8,10-11,15,18,21-23H,4-6,9,12-14H2;1-6,9-10,14-15,18-19,25-26H,7-8,11,24H2;3*1H4/t21-,22+,25+,26+;21-,24-,25-;17-,18+,21+,22+;;14-,15+,18+,19+;;;/m101.1.../s1.

What are the key properties of (4aS,5R,10bS)-6-benzyl-5-phenyl-9-(trifluoromethyl)-2,3,4,4a,5,10b-hexahydropyrano[3,2-c]quinoline;[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl N-[3-[2-(dimethylamino)ethylamino]propyl]carbamate;[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylhydrazine;2-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl-methylamino]ethanol;methane;5-phenyl-9-pyrrolidin-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?

(4aS,5R,10bS)-6-benzyl-5-phenyl-9-(trifluoromethyl)-2,3,4,4a,5,10b-hexahydropyrano[3,2-c]quinoline;[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl N-[3-[2-(dimethylamino)ethylamino]propyl]carbamate;[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylhydrazine;2-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl-methylamino]ethanol;methane;5-phenyl-9-pyrrolidin-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline has a molecular weight of 2138.58 g/mol, XLogP of 27.54, 23 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (4aS,5R,10bS)-6-benzyl-5-phenyl-9-(trifluoromethyl)-2,3,4,4a,5,10b-hexahydropyrano[3,2-c]quinoline;[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl N-[3-[2-(dimethylamino)ethylamino]propyl]carbamate;[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylhydrazine;2-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl-methylamino]ethanol;methane;5-phenyl-9-pyrrolidin-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline is sourced from PubChem (CID 158447803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).