[(2R,4aS,5S,10bS)-5-phenyl-9-(trifluoromethyl)-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]-4-methylpiperazine-1-carboxamide;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]urea;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-(2-pyrrolidin-1-ylethyl)urea;tert-butyl 4-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylcarbamoyl]piperazine-1-carboxylate;methane

C134H167F15N18O12 — CID 161299972

About [(2R,4aS,5S,10bS)-5-phenyl-9-(trifluoromethyl)-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]-4-methylpiperazine-1-carboxamide;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]urea;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-(2-pyrrolidin-1-ylethyl)urea;tert-butyl 4-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylcarbamoyl]piperazine-1-carboxylate;methane

[(2R,4aS,5S,10bS)-5-phenyl-9-(trifluoromethyl)-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]-4-methylpiperazine-1-carboxamide;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]urea;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-(2-pyrrolidin-1-ylethyl)urea;tert-butyl 4-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylcarbamoyl]piperazine-1-carboxylate;methane (PubChem CID 161299972) has the molecular formula C134H167F15N18O12 and a molecular weight of 2506.89 g/mol. Its IUPAC name is [(2R,4aS,5S,10bS)-5-phenyl-9-(trifluoromethyl)-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]-4-methylpiperazine-1-carboxamide;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]urea;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-(2-pyrrolidin-1-ylethyl)urea;tert-butyl 4-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylcarbamoyl]piperazine-1-carboxylate;methane.

Molecular Properties

• Compound Name: [(2R,4aS,5S,10bS)-5-phenyl-9-(trifluoromethyl)-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]-4-methylpiperazine-1-carboxamide;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]urea;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-(2-pyrrolidin-1-ylethyl)urea;tert-butyl 4-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylcarbamoyl]piperazine-1-carboxylate;methane
• PubChem CID: 161299972
• Molecular Formula: C134H167F15N18O12
• Molecular Weight: 2506.89 g/mol
• Exact Mass: 2505.28
• IUPAC Name: [(2R,4aS,5S,10bS)-5-phenyl-9-(trifluoromethyl)-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]-4-methylpiperazine-1-carboxamide;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]urea;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-(2-pyrrolidin-1-ylethyl)urea;tert-butyl 4-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylcarbamoyl]piperazine-1-carboxylate;methane
• SMILES: C.C.CC(C)(C)OC(=O)N1CCN(C(=O)NC[C@H]2CC[C@@H]3[C@H](O2)c2cc(C(F)(F)F)ccc2N[C@H]3c2ccccc2)CC1.CN1CCN(C(=O)NC[C@H]2CC[C@@H]3[C@H](O2)c2cc(C(F)(F)F)ccc2N[C@H]3c2ccccc2)CC1.CN1CCN(CCCNC(=O)NC[C@H]2CC[C@@H]3[C@H](O2)c2cc(C(F)(F)F)ccc2N[C@H]3c2ccccc2)CC1.O=C(NCCN1CCCC1)NC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.OC[C@H]1CC[C@H]2[C@@H](c3ccccc3)Nc3ccc(C(F)(F)F)cc3[C@H]2O1
• InChI: InChI=1S/C30H37F3N4O4.C29H38F3N5O2.C27H33F3N4O2.C26H31F3N4O2.C20H20F3NO2.2CH4/c1-29(2,3)41-28(39)37-15-13-36(14-16-37)27(38)34-18-21-10-11-22-25(19-7-5-4-6-8-19)35-24-12-9-20(30(31,32)33)17-23(24)26(22)40-21;1-36-14-16-37(17-15-36)13-5-12-33-28(38)34-19-22-9-10-23-26(20-6-3-2-4-7-20)35-25-11-8-21(29(30,31)32)18-24(25)27(23)39-22;28-27(29,30)19-8-11-23-22(16-19)25-21(24(33-23)18-6-2-1-3-7-18)10-9-20(36-25)17-32-26(35)31-12-15-34-13-4-5-14-34;1-32-11-13-33(14-12-32)25(34)30-16-19-8-9-20-23(17-5-3-2-4-6-17)31-22-10-7-18(26(27,28)29)15-21(22)24(20)35-19;21-20(22,23)13-6-9-17-16(10-13)19-15(8-7-14(11-25)26-19)18(24-17)12-4-2-1-3-5-12;;/h4-9,12,17,21-22,25-26,35H,10-11,13-16,18H2,1-3H3,(H,34,38);2-4,6-8,11,18,22-23,26-27,35H,5,9-10,12-17,19H2,1H3,(H2,33,34,38);1-3,6-8,11,16,20-21,24-25,33H,4-5,9-10,12-15,17H2,(H2,31,32,35);2-7,10,15,19-20,23-24,31H,8-9,11-14,16H2,1H3,(H,30,34);1-6,9-10,14-15,18-19,24-25H,7-8,11H2;2*1H4/t21-,22+,25+,26+;22-,23+,26+,27+;20-,21+,24+,25+;19-,20+,23+,24+;14-,15+,18-,19+;;/m11111../s1
• InChIKey: VHMASEIKIMPBCQ-BQRHKDIOSA-N
• XLogP: 26.36
• TPSA: 315.97 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 21
• Rotatable Bonds: 21
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2506.89
LogP ≤ 5	26.36
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,4aS,5S,10bS)-5-phenyl-9-(trifluoromethyl)-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]-4-methylpiperazine-1-carboxamide;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]urea;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-(2-pyrrolidin-1-ylethyl)urea;tert-butyl 4-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylcarbamoyl]piperazine-1-carboxylate;methane?

The IUPAC name of [(2R,4aS,5S,10bS)-5-phenyl-9-(trifluoromethyl)-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]-4-methylpiperazine-1-carboxamide;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]urea;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-(2-pyrrolidin-1-ylethyl)urea;tert-butyl 4-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylcarbamoyl]piperazine-1-carboxylate;methane (CID 161299972) is [(2R,4aS,5S,10bS)-5-phenyl-9-(trifluoromethyl)-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]-4-methylpiperazine-1-carboxamide;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]urea;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-(2-pyrrolidin-1-ylethyl)urea;tert-butyl 4-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylcarbamoyl]piperazine-1-carboxylate;methane.

What is the SMILES notation for [(2R,4aS,5S,10bS)-5-phenyl-9-(trifluoromethyl)-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]-4-methylpiperazine-1-carboxamide;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]urea;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-(2-pyrrolidin-1-ylethyl)urea;tert-butyl 4-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylcarbamoyl]piperazine-1-carboxylate;methane?

The canonical SMILES for [(2R,4aS,5S,10bS)-5-phenyl-9-(trifluoromethyl)-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]-4-methylpiperazine-1-carboxamide;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]urea;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-(2-pyrrolidin-1-ylethyl)urea;tert-butyl 4-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylcarbamoyl]piperazine-1-carboxylate;methane is C.C.CC(C)(C)OC(=O)N1CCN(C(=O)NC[C@H]2CC[C@@H]3[C@H](O2)c2cc(C(F)(F)F)ccc2N[C@H]3c2ccccc2)CC1.CN1CCN(C(=O)NC[C@H]2CC[C@@H]3[C@H](O2)c2cc(C(F)(F)F)ccc2N[C@H]3c2ccccc2)CC1.CN1CCN(CCCNC(=O)NC[C@H]2CC[C@@H]3[C@H](O2)c2cc(C(F)(F)F)ccc2N[C@H]3c2ccccc2)CC1.O=C(NCCN1CCCC1)NC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.OC[C@H]1CC[C@H]2[C@@H](c3ccccc3)Nc3ccc(C(F)(F)F)cc3[C@H]2O1.

What is the InChIKey of [(2R,4aS,5S,10bS)-5-phenyl-9-(trifluoromethyl)-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]-4-methylpiperazine-1-carboxamide;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]urea;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-(2-pyrrolidin-1-ylethyl)urea;tert-butyl 4-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylcarbamoyl]piperazine-1-carboxylate;methane?

The InChIKey is VHMASEIKIMPBCQ-BQRHKDIOSA-N. The full InChI is InChI=1S/C30H37F3N4O4.C29H38F3N5O2.C27H33F3N4O2.C26H31F3N4O2.C20H20F3NO2.2CH4/c1-29(2,3)41-28(39)37-15-13-36(14-16-37)27(38)34-18-21-10-11-22-25(19-7-5-4-6-8-19)35-24-12-9-20(30(31,32)33)17-23(24)26(22)40-21;1-36-14-16-37(17-15-36)13-5-12-33-28(38)34-19-22-9-10-23-26(20-6-3-2-4-7-20)35-25-11-8-21(29(30,31)32)18-24(25)27(23)39-22;28-27(29,30)19-8-11-23-22(16-19)25-21(24(33-23)18-6-2-1-3-7-18)10-9-20(36-25)17-32-26(35)31-12-15-34-13-4-5-14-34;1-32-11-13-33(14-12-32)25(34)30-16-19-8-9-20-23(17-5-3-2-4-6-17)31-22-10-7-18(26(27,28)29)15-21(22)24(20)35-19;21-20(22,23)13-6-9-17-16(10-13)19-15(8-7-14(11-25)26-19)18(24-17)12-4-2-1-3-5-12;;/h4-9,12,17,21-22,25-26,35H,10-11,13-16,18H2,1-3H3,(H,34,38);2-4,6-8,11,18,22-23,26-27,35H,5,9-10,12-17,19H2,1H3,(H2,33,34,38);1-3,6-8,11,16,20-21,24-25,33H,4-5,9-10,12-15,17H2,(H2,31,32,35);2-7,10,15,19-20,23-24,31H,8-9,11-14,16H2,1H3,(H,30,34);1-6,9-10,14-15,18-19,24-25H,7-8,11H2;2*1H4/t21-,22+,25+,26+;22-,23+,26+,27+;20-,21+,24+,25+;19-,20+,23+,24+;14-,15+,18-,19+;;/m11111../s1.

What are the key properties of [(2R,4aS,5S,10bS)-5-phenyl-9-(trifluoromethyl)-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]-4-methylpiperazine-1-carboxamide;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]urea;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-(2-pyrrolidin-1-ylethyl)urea;tert-butyl 4-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylcarbamoyl]piperazine-1-carboxylate;methane?

[(2R,4aS,5S,10bS)-5-phenyl-9-(trifluoromethyl)-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]-4-methylpiperazine-1-carboxamide;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]urea;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-(2-pyrrolidin-1-ylethyl)urea;tert-butyl 4-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylcarbamoyl]piperazine-1-carboxylate;methane has a molecular weight of 2506.89 g/mol, XLogP of 26.36, 21 rotatable bonds, 12 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,4aS,5S,10bS)-5-phenyl-9-(trifluoromethyl)-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]-4-methylpiperazine-1-carboxamide;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]urea;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-(2-pyrrolidin-1-ylethyl)urea;tert-butyl 4-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methylcarbamoyl]piperazine-1-carboxylate;methane is sourced from PubChem (CID 161299972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).