(2S,4aS,5R,10bS)-N-[2-(methylamino)ethyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;(2R,4aS,5R,10bS)-N-[2-(methylamino)ethyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;[(2S,4aR,5S,10bR)-9-methylsulfanyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-methylpropan-1-amine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]prop-2-en-1-amine;methane

C116H141F12N11O8S — CID 158850994

About (2S,4aS,5R,10bS)-N-[2-(methylamino)ethyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;(2R,4aS,5R,10bS)-N-[2-(methylamino)ethyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;[(2S,4aR,5S,10bR)-9-methylsulfanyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-methylpropan-1-amine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]prop-2-en-1-amine;methane

(2S,4aS,5R,10bS)-N-[2-(methylamino)ethyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;(2R,4aS,5R,10bS)-N-[2-(methylamino)ethyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;[(2S,4aR,5S,10bR)-9-methylsulfanyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-methylpropan-1-amine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]prop-2-en-1-amine;methane (PubChem CID 158850994) has the molecular formula C116H141F12N11O8S and a molecular weight of 2077.52 g/mol. Its IUPAC name is (2S,4aS,5R,10bS)-N-[2-(methylamino)ethyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;(2R,4aS,5R,10bS)-N-[2-(methylamino)ethyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;[(2S,4aR,5S,10bR)-9-methylsulfanyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-methylpropan-1-amine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]prop-2-en-1-amine;methane.

Molecular Properties

• Compound Name: (2S,4aS,5R,10bS)-N-[2-(methylamino)ethyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;(2R,4aS,5R,10bS)-N-[2-(methylamino)ethyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;[(2S,4aR,5S,10bR)-9-methylsulfanyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-methylpropan-1-amine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]prop-2-en-1-amine;methane
• PubChem CID: 158850994
• Molecular Formula: C116H141F12N11O8S
• Molecular Weight: 2077.52 g/mol
• Exact Mass: 2076.05
• IUPAC Name: (2S,4aS,5R,10bS)-N-[2-(methylamino)ethyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;(2R,4aS,5R,10bS)-N-[2-(methylamino)ethyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;[(2S,4aR,5S,10bR)-9-methylsulfanyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-methylpropan-1-amine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]prop-2-en-1-amine;methane
• SMILES: C.C.C.C=CCNC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.CC(C)CNC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.CNCCNC(=O)[C@@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.CNCCNC(=O)[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.CSc1ccc2c(c1)[C@@H]1O[C@H](CO)CC[C@@H]1[C@@H](c1ccccc1)N2
• InChI: InChI=1S/C24H29F3N2O.2C23H26F3N3O2.C23H25F3N2O.C20H23NO2S.3CH4/c1-15(2)13-28-14-18-9-10-19-22(16-6-4-3-5-7-16)29-21-11-8-17(24(25,26)27)12-20(21)23(19)30-18;2*1-27-11-12-28-22(30)19-10-8-16-20(14-5-3-2-4-6-14)29-18-9-7-15(23(24,25)26)13-17(18)21(16)31-19;1-2-12-27-14-17-9-10-18-21(15-6-4-3-5-7-15)28-20-11-8-16(23(24,25)26)13-19(20)22(18)29-17;1-24-15-8-10-18-17(11-15)20-16(9-7-14(12-22)23-20)19(21-18)13-5-3-2-4-6-13;;;/h3-8,11-12,15,18-19,22-23,28-29H,9-10,13-14H2,1-2H3;2*2-7,9,13,16,19-21,27,29H,8,10-12H2,1H3,(H,28,30);2-8,11,13,17-18,21-22,27-28H,1,9-10,12,14H2;2-6,8,10-11,14,16,19-22H,7,9,12H2,1H3;3*1H4/t18-,19+,22+,23+;16-,19+,20-,21-;16-,19-,20-,21-;17-,18+,21+,22+;14-,16+,19+,20+;;;/m10010.../s1
• InChIKey: IZLFPYPFRJWAAF-YSJULTAKSA-N
• XLogP: 25.84
• TPSA: 232.85 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 18
• Rotatable Bonds: 23
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2077.52
LogP ≤ 5	25.84
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S,4aS,5R,10bS)-N-[2-(methylamino)ethyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;(2R,4aS,5R,10bS)-N-[2-(methylamino)ethyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;[(2S,4aR,5S,10bR)-9-methylsulfanyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-methylpropan-1-amine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]prop-2-en-1-amine;methane?

The IUPAC name of (2S,4aS,5R,10bS)-N-[2-(methylamino)ethyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;(2R,4aS,5R,10bS)-N-[2-(methylamino)ethyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;[(2S,4aR,5S,10bR)-9-methylsulfanyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-methylpropan-1-amine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]prop-2-en-1-amine;methane (CID 158850994) is (2S,4aS,5R,10bS)-N-[2-(methylamino)ethyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;(2R,4aS,5R,10bS)-N-[2-(methylamino)ethyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;[(2S,4aR,5S,10bR)-9-methylsulfanyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-methylpropan-1-amine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]prop-2-en-1-amine;methane.

What is the SMILES notation for (2S,4aS,5R,10bS)-N-[2-(methylamino)ethyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;(2R,4aS,5R,10bS)-N-[2-(methylamino)ethyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;[(2S,4aR,5S,10bR)-9-methylsulfanyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-methylpropan-1-amine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]prop-2-en-1-amine;methane?

The canonical SMILES for (2S,4aS,5R,10bS)-N-[2-(methylamino)ethyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;(2R,4aS,5R,10bS)-N-[2-(methylamino)ethyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;[(2S,4aR,5S,10bR)-9-methylsulfanyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-methylpropan-1-amine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]prop-2-en-1-amine;methane is C.C.C.C=CCNC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.CC(C)CNC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.CNCCNC(=O)[C@@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.CNCCNC(=O)[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.CSc1ccc2c(c1)[C@@H]1O[C@H](CO)CC[C@@H]1[C@@H](c1ccccc1)N2.

What is the InChIKey of (2S,4aS,5R,10bS)-N-[2-(methylamino)ethyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;(2R,4aS,5R,10bS)-N-[2-(methylamino)ethyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;[(2S,4aR,5S,10bR)-9-methylsulfanyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-methylpropan-1-amine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]prop-2-en-1-amine;methane?

The InChIKey is IZLFPYPFRJWAAF-YSJULTAKSA-N. The full InChI is InChI=1S/C24H29F3N2O.2C23H26F3N3O2.C23H25F3N2O.C20H23NO2S.3CH4/c1-15(2)13-28-14-18-9-10-19-22(16-6-4-3-5-7-16)29-21-11-8-17(24(25,26)27)12-20(21)23(19)30-18;2*1-27-11-12-28-22(30)19-10-8-16-20(14-5-3-2-4-6-14)29-18-9-7-15(23(24,25)26)13-17(18)21(16)31-19;1-2-12-27-14-17-9-10-18-21(15-6-4-3-5-7-15)28-20-11-8-16(23(24,25)26)13-19(20)22(18)29-17;1-24-15-8-10-18-17(11-15)20-16(9-7-14(12-22)23-20)19(21-18)13-5-3-2-4-6-13;;;/h3-8,11-12,15,18-19,22-23,28-29H,9-10,13-14H2,1-2H3;2*2-7,9,13,16,19-21,27,29H,8,10-12H2,1H3,(H,28,30);2-8,11,13,17-18,21-22,27-28H,1,9-10,12,14H2;2-6,8,10-11,14,16,19-22H,7,9,12H2,1H3;3*1H4/t18-,19+,22+,23+;16-,19+,20-,21-;16-,19-,20-,21-;17-,18+,21+,22+;14-,16+,19+,20+;;;/m10010.../s1.

What are the key properties of (2S,4aS,5R,10bS)-N-[2-(methylamino)ethyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;(2R,4aS,5R,10bS)-N-[2-(methylamino)ethyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;[(2S,4aR,5S,10bR)-9-methylsulfanyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-methylpropan-1-amine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]prop-2-en-1-amine;methane?

(2S,4aS,5R,10bS)-N-[2-(methylamino)ethyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;(2R,4aS,5R,10bS)-N-[2-(methylamino)ethyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;[(2S,4aR,5S,10bR)-9-methylsulfanyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-methylpropan-1-amine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]prop-2-en-1-amine;methane has a molecular weight of 2077.52 g/mol, XLogP of 25.84, 23 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4aS,5R,10bS)-N-[2-(methylamino)ethyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;(2R,4aS,5R,10bS)-N-[2-(methylamino)ethyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;[(2S,4aR,5S,10bR)-9-methylsulfanyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-methylpropan-1-amine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]prop-2-en-1-amine;methane is sourced from PubChem (CID 158850994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).