(2R,4aS,5R,10bS)-N-[3-(methylamino)propyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;(2S,4aR,5S,10bR)-N-[3-(methylamino)propyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;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-(dimethylamino)acetamide;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]-N-methylethane-1,2-diamine;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]-4-thiophen-2-ylpiperidin-4-ol;methane

C129H163F15N14O9S — CID 161469118

IUPAC(2R,4aS,5R,10bS)-N-[3-(methylamino)propyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;(2S,4aR,5S,10bR)-N-[3-(methylamino)propyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;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-(dimethylamino)acetamide;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]-N-methylethane-1,2-diamine;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]-4-thiophen-2-ylpiperidin-4-ol;methane
SMILESC.C.C.C.C.CN(C)CC(=O)NC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.CNCCCNC(=O)[C@@H]1CC[C@@H]2[C@@H](c3ccccc3)Nc3ccc(C(F)(F)F)cc3[C@@H]2O1.CNCCCNC(=O)[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.CNCCNC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.OC1(c2cccs2)CCN(C[C@H]2CC[C@@H]3[C@H](O2)c2cc(C(F)(F)F)ccc2N[C@H]3c2ccccc2)CC1
InChIInChI=1S/C29H31F3N2O2S.3C24H28F3N3O2.C23H28F3N3O.5CH4/c30-29(31,32)20-8-11-24-23(17-20)27-22(26(33-24)19-5-2-1-3-6-19)10-9-21(36-27)18-34-14-12-28(35,13-15-34)25-7-4-16-37-25;1-30(2)14-21(31)28-13-17-9-10-18-22(15-6-4-3-5-7-15)29-20-11-8-16(24(25,26)27)12-19(20)23(18)32-17;2*1-28-12-5-13-29-23(31)20-11-9-17-21(15-6-3-2-4-7-15)30-19-10-8-16(24(25,26)27)14-18(19)22(17)32-20;1-27-11-12-28-14-17-8-9-18-21(15-5-3-2-4-6-15)29-20-10-7-16(23(24,25)26)13-19(20)22(18)30-17;;;;;/h1-8,11,16-17,21-22,26-27,33,35H,9-10,12-15,18H2;3-8,11-12,17-18,22-23,29H,9-10,13-14H2,1-2H3,(H,28,31);2*2-4,6-8,10,14,17,20-22,28,30H,5,9,11-13H2,1H3,(H,29,31);2-7,10,13,17-18,21-22,27-29H,8-9,11-12,14H2,1H3;5*1H4/t21-,22+,26+,27+;17-,18+,22+,23+;2*17-,20+,21-,22-;17-,18+,21+,22+;;;;;/m11101...../s1
InChIKeyWCVJOWOCUJATDC-DPQVFWECSA-N
MW2370.85 g/mol
LogP27.71
Rot. Bonds27

About (2R,4aS,5R,10bS)-N-[3-(methylamino)propyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;(2S,4aR,5S,10bR)-N-[3-(methylamino)propyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;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-(dimethylamino)acetamide;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]-N-methylethane-1,2-diamine;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]-4-thiophen-2-ylpiperidin-4-ol;methane

(2R,4aS,5R,10bS)-N-[3-(methylamino)propyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;(2S,4aR,5S,10bR)-N-[3-(methylamino)propyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;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-(dimethylamino)acetamide;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]-N-methylethane-1,2-diamine;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]-4-thiophen-2-ylpiperidin-4-ol;methane (PubChem CID 161469118) has the molecular formula C129H163F15N14O9S and a molecular weight of 2370.85 g/mol. Its IUPAC name is (2R,4aS,5R,10bS)-N-[3-(methylamino)propyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;(2S,4aR,5S,10bR)-N-[3-(methylamino)propyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;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-(dimethylamino)acetamide;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]-N-methylethane-1,2-diamine;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]-4-thiophen-2-ylpiperidin-4-ol;methane.

Molecular Properties

Compound Name(2R,4aS,5R,10bS)-N-[3-(methylamino)propyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;(2S,4aR,5S,10bR)-N-[3-(methylamino)propyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;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-(dimethylamino)acetamide;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]-N-methylethane-1,2-diamine;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]-4-thiophen-2-ylpiperidin-4-ol;methane
PubChem CID161469118
Molecular FormulaC129H163F15N14O9S
Molecular Weight2370.85 g/mol
Exact Mass2369.22
IUPAC Name(2R,4aS,5R,10bS)-N-[3-(methylamino)propyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;(2S,4aR,5S,10bR)-N-[3-(methylamino)propyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;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-(dimethylamino)acetamide;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]-N-methylethane-1,2-diamine;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]-4-thiophen-2-ylpiperidin-4-ol;methane
SMILESC.C.C.C.C.CN(C)CC(=O)NC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.CNCCCNC(=O)[C@@H]1CC[C@@H]2[C@@H](c3ccccc3)Nc3ccc(C(F)(F)F)cc3[C@@H]2O1.CNCCCNC(=O)[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.CNCCNC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.OC1(c2cccs2)CCN(C[C@H]2CC[C@@H]3[C@H](O2)c2cc(C(F)(F)F)ccc2N[C@H]3c2ccccc2)CC1
InChIInChI=1S/C29H31F3N2O2S.3C24H28F3N3O2.C23H28F3N3O.5CH4/c30-29(31,32)20-8-11-24-23(17-20)27-22(26(33-24)19-5-2-1-3-6-19)10-9-21(36-27)18-34-14-12-28(35,13-15-34)25-7-4-16-37-25;1-30(2)14-21(31)28-13-17-9-10-18-22(15-6-4-3-5-7-15)29-20-11-8-16(24(25,26)27)12-19(20)23(18)32-17;2*1-28-12-5-13-29-23(31)20-11-9-17-21(15-6-3-2-4-7-15)30-19-10-8-16(24(25,26)27)14-18(19)22(17)32-20;1-27-11-12-28-14-17-8-9-18-21(15-5-3-2-4-6-15)29-20-10-7-16(23(24,25)26)13-19(20)22(18)30-17;;;;;/h1-8,11,16-17,21-22,26-27,33,35H,9-10,12-15,18H2;3-8,11-12,17-18,22-23,29H,9-10,13-14H2,1-2H3,(H,28,31);2*2-4,6-8,10,14,17,20-22,28,30H,5,9,11-13H2,1H3,(H,29,31);2-7,10,13,17-18,21-22,27-29H,8-9,11-12,14H2,1H3;5*1H4/t21-,22+,26+,27+;17-,18+,22+,23+;2*17-,20+,21-,22-;17-,18+,21+,22+;;;;;/m11101...../s1
InChIKeyWCVJOWOCUJATDC-DPQVFWECSA-N
XLogP27.71
TPSA268.43 Ų
H-Bond Donors13
H-Bond Acceptors21
Rotatable Bonds27
Heavy Atoms168
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002370.85
LogP ≤ 527.71
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze (2R,4aS,5R,10bS)-N-[3-(methylamino)propyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;(2S,4aR,5S,10bR)-N-[3-(methylamino)propyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;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-(dimethylamino)acetamide;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]-N-methylethane-1,2-diamine;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]-4-thiophen-2-ylpiperidin-4-ol;methane with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2R,4aS,5R,10bS)-N-[3-(methylamino)propyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;(2S,4aR,5S,10bR)-N-[3-(methylamino)propyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;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-(dimethylamino)acetamide;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]-N-methylethane-1,2-diamine;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]-4-thiophen-2-ylpiperidin-4-ol;methane?
The IUPAC name of (2R,4aS,5R,10bS)-N-[3-(methylamino)propyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;(2S,4aR,5S,10bR)-N-[3-(methylamino)propyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;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-(dimethylamino)acetamide;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]-N-methylethane-1,2-diamine;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]-4-thiophen-2-ylpiperidin-4-ol;methane (CID 161469118) is (2R,4aS,5R,10bS)-N-[3-(methylamino)propyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;(2S,4aR,5S,10bR)-N-[3-(methylamino)propyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;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-(dimethylamino)acetamide;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]-N-methylethane-1,2-diamine;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]-4-thiophen-2-ylpiperidin-4-ol;methane.
What is the SMILES notation for (2R,4aS,5R,10bS)-N-[3-(methylamino)propyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;(2S,4aR,5S,10bR)-N-[3-(methylamino)propyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;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-(dimethylamino)acetamide;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]-N-methylethane-1,2-diamine;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]-4-thiophen-2-ylpiperidin-4-ol;methane?
The canonical SMILES for (2R,4aS,5R,10bS)-N-[3-(methylamino)propyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;(2S,4aR,5S,10bR)-N-[3-(methylamino)propyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;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-(dimethylamino)acetamide;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]-N-methylethane-1,2-diamine;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]-4-thiophen-2-ylpiperidin-4-ol;methane is C.C.C.C.C.CN(C)CC(=O)NC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.CNCCCNC(=O)[C@@H]1CC[C@@H]2[C@@H](c3ccccc3)Nc3ccc(C(F)(F)F)cc3[C@@H]2O1.CNCCCNC(=O)[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.CNCCNC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.OC1(c2cccs2)CCN(C[C@H]2CC[C@@H]3[C@H](O2)c2cc(C(F)(F)F)ccc2N[C@H]3c2ccccc2)CC1.
What is the InChIKey of (2R,4aS,5R,10bS)-N-[3-(methylamino)propyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;(2S,4aR,5S,10bR)-N-[3-(methylamino)propyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;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-(dimethylamino)acetamide;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]-N-methylethane-1,2-diamine;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]-4-thiophen-2-ylpiperidin-4-ol;methane?
The InChIKey is WCVJOWOCUJATDC-DPQVFWECSA-N. The full InChI is InChI=1S/C29H31F3N2O2S.3C24H28F3N3O2.C23H28F3N3O.5CH4/c30-29(31,32)20-8-11-24-23(17-20)27-22(26(33-24)19-5-2-1-3-6-19)10-9-21(36-27)18-34-14-12-28(35,13-15-34)25-7-4-16-37-25;1-30(2)14-21(31)28-13-17-9-10-18-22(15-6-4-3-5-7-15)29-20-11-8-16(24(25,26)27)12-19(20)23(18)32-17;2*1-28-12-5-13-29-23(31)20-11-9-17-21(15-6-3-2-4-7-15)30-19-10-8-16(24(25,26)27)14-18(19)22(17)32-20;1-27-11-12-28-14-17-8-9-18-21(15-5-3-2-4-6-15)29-20-10-7-16(23(24,25)26)13-19(20)22(18)30-17;;;;;/h1-8,11,16-17,21-22,26-27,33,35H,9-10,12-15,18H2;3-8,11-12,17-18,22-23,29H,9-10,13-14H2,1-2H3,(H,28,31);2*2-4,6-8,10,14,17,20-22,28,30H,5,9,11-13H2,1H3,(H,29,31);2-7,10,13,17-18,21-22,27-29H,8-9,11-12,14H2,1H3;5*1H4/t21-,22+,26+,27+;17-,18+,22+,23+;2*17-,20+,21-,22-;17-,18+,21+,22+;;;;;/m11101...../s1.
What are the key properties of (2R,4aS,5R,10bS)-N-[3-(methylamino)propyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;(2S,4aR,5S,10bR)-N-[3-(methylamino)propyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;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-(dimethylamino)acetamide;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]-N-methylethane-1,2-diamine;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]-4-thiophen-2-ylpiperidin-4-ol;methane?
(2R,4aS,5R,10bS)-N-[3-(methylamino)propyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;(2S,4aR,5S,10bR)-N-[3-(methylamino)propyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;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-(dimethylamino)acetamide;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]-N-methylethane-1,2-diamine;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]-4-thiophen-2-ylpiperidin-4-ol;methane has a molecular weight of 2370.85 g/mol, XLogP of 27.71, 27 rotatable bonds, 13 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aS,5R,10bS)-N-[3-(methylamino)propyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;(2S,4aR,5S,10bR)-N-[3-(methylamino)propyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide;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-(dimethylamino)acetamide;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]-N-methylethane-1,2-diamine;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]-4-thiophen-2-ylpiperidin-4-ol;methane is sourced from PubChem (CID 161469118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).