[(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]methanol;[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanamine;[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;[(2S,4aR,5S,10bR)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;1-[[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-[2-(dimethylamino)ethyl]urea;1-[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;methane

C126H148ClF6N11O10 — CID 160746841

IUPAC[(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]methanol;[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanamine;[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;[(2S,4aR,5S,10bR)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;1-[[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-[2-(dimethylamino)ethyl]urea;1-[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;methane
SMILESC.CNC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C)cc(F)c1N[C@H]2c1ccccc1.Cc1cc(F)c2c(c1)[C@@H]1O[C@H](CO)CC[C@@H]1[C@@H](c1ccccc1)N2.Cc1cc(F)c2c(c1)[C@H]1O[C@@H](CN)CC[C@H]1[C@H](c1ccccc1)N2.Cc1cc(F)c2c(c1)[C@H]1O[C@@H](CNC(=O)NCCN(C)C)CC[C@H]1[C@H](c1ccccc1)N2.Cc1cc(F)c2c(c1)[C@H]1O[C@@H](CO)CC[C@H]1[C@H](c1ccccc1)N2.OC[C@H]1CC[C@@H]2[C@H](O1)c1cc(Cl)cc(F)c1N[C@H]2c1ccccc1
InChIInChI=1S/C25H33FN4O2.C21H25FN2O.C20H23FN2O.2C20H22FNO2.C19H19ClFNO2.CH4/c1-16-13-20-23(21(26)14-16)29-22(17-7-5-4-6-8-17)19-10-9-18(32-24(19)20)15-28-25(31)27-11-12-30(2)3;1-13-10-17-20(18(22)11-13)24-19(14-6-4-3-5-7-14)16-9-8-15(12-23-2)25-21(16)17;1-12-9-16-19(17(21)10-12)23-18(13-5-3-2-4-6-13)15-8-7-14(11-22)24-20(15)16;2*1-12-9-16-19(17(21)10-12)22-18(13-5-3-2-4-6-13)15-8-7-14(11-23)24-20(15)16;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;/h4-8,13-14,18-19,22,24,29H,9-12,15H2,1-3H3,(H2,27,28,31);3-7,10-11,15-16,19,21,23-24H,8-9,12H2,1-2H3;2-6,9-10,14-15,18,20,23H,7-8,11,22H2,1H3;2*2-6,9-10,14-15,18,20,22-23H,7-8,11H2,1H3;1-5,8-9,13-14,17,19,22-23H,6-7,10H2;1H4/t18-,19+,22+,24+;15-,16+,19+,21+;3*14-,15+,18+,20+;13-,14+,17+,19+;/m111101./s1
InChIKeyRWHITCSABOGFKO-CYHGRUORSA-N
MW2126.08 g/mol
LogP25.82
Rot. Bonds17

About [(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]methanol;[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanamine;[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;[(2S,4aR,5S,10bR)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;1-[[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-[2-(dimethylamino)ethyl]urea;1-[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;methane

[(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]methanol;[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanamine;[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;[(2S,4aR,5S,10bR)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;1-[[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-[2-(dimethylamino)ethyl]urea;1-[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;methane (PubChem CID 160746841) has the molecular formula C126H148ClF6N11O10 and a molecular weight of 2126.08 g/mol. Its IUPAC name is [(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]methanol;[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanamine;[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;[(2S,4aR,5S,10bR)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;1-[[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-[2-(dimethylamino)ethyl]urea;1-[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;methane.

Molecular Properties

Compound Name[(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]methanol;[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanamine;[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;[(2S,4aR,5S,10bR)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;1-[[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-[2-(dimethylamino)ethyl]urea;1-[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;methane
PubChem CID160746841
Molecular FormulaC126H148ClF6N11O10
Molecular Weight2126.08 g/mol
Exact Mass2124.10
IUPAC Name[(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]methanol;[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanamine;[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;[(2S,4aR,5S,10bR)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;1-[[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-[2-(dimethylamino)ethyl]urea;1-[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;methane
SMILESC.CNC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C)cc(F)c1N[C@H]2c1ccccc1.Cc1cc(F)c2c(c1)[C@@H]1O[C@H](CO)CC[C@@H]1[C@@H](c1ccccc1)N2.Cc1cc(F)c2c(c1)[C@H]1O[C@@H](CN)CC[C@H]1[C@H](c1ccccc1)N2.Cc1cc(F)c2c(c1)[C@H]1O[C@@H](CNC(=O)NCCN(C)C)CC[C@H]1[C@H](c1ccccc1)N2.Cc1cc(F)c2c(c1)[C@H]1O[C@@H](CO)CC[C@H]1[C@H](c1ccccc1)N2.OC[C@H]1CC[C@@H]2[C@H](O1)c1cc(Cl)cc(F)c1N[C@H]2c1ccccc1
InChIInChI=1S/C25H33FN4O2.C21H25FN2O.C20H23FN2O.2C20H22FNO2.C19H19ClFNO2.CH4/c1-16-13-20-23(21(26)14-16)29-22(17-7-5-4-6-8-17)19-10-9-18(32-24(19)20)15-28-25(31)27-11-12-30(2)3;1-13-10-17-20(18(22)11-13)24-19(14-6-4-3-5-7-14)16-9-8-15(12-23-2)25-21(16)17;1-12-9-16-19(17(21)10-12)23-18(13-5-3-2-4-6-13)15-8-7-14(11-22)24-20(15)16;2*1-12-9-16-19(17(21)10-12)22-18(13-5-3-2-4-6-13)15-8-7-14(11-23)24-20(15)16;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;/h4-8,13-14,18-19,22,24,29H,9-12,15H2,1-3H3,(H2,27,28,31);3-7,10-11,15-16,19,21,23-24H,8-9,12H2,1-2H3;2-6,9-10,14-15,18,20,23H,7-8,11,22H2,1H3;2*2-6,9-10,14-15,18,20,22-23H,7-8,11H2,1H3;1-5,8-9,13-14,17,19,22-23H,6-7,10H2;1H4/t18-,19+,22+,24+;15-,16+,19+,21+;3*14-,15+,18+,20+;13-,14+,17+,19+;/m111101./s1
InChIKeyRWHITCSABOGFKO-CYHGRUORSA-N
XLogP25.82
TPSA270.67 Ų
H-Bond Donors13
H-Bond Acceptors19
Rotatable Bonds17
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002126.08
LogP ≤ 525.82
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1019

Analyze [(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]methanol;[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanamine;[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;[(2S,4aR,5S,10bR)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;1-[[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-[2-(dimethylamino)ethyl]urea;1-[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(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]methanol;[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanamine;[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;[(2S,4aR,5S,10bR)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;1-[[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-[2-(dimethylamino)ethyl]urea;1-[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;methane?
The IUPAC name of [(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]methanol;[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanamine;[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;[(2S,4aR,5S,10bR)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;1-[[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-[2-(dimethylamino)ethyl]urea;1-[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;methane (CID 160746841) is [(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]methanol;[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanamine;[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;[(2S,4aR,5S,10bR)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;1-[[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-[2-(dimethylamino)ethyl]urea;1-[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;methane.
What is the SMILES notation for [(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]methanol;[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanamine;[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;[(2S,4aR,5S,10bR)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;1-[[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-[2-(dimethylamino)ethyl]urea;1-[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;methane?
The canonical SMILES for [(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]methanol;[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanamine;[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;[(2S,4aR,5S,10bR)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;1-[[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-[2-(dimethylamino)ethyl]urea;1-[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;methane is C.CNC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C)cc(F)c1N[C@H]2c1ccccc1.Cc1cc(F)c2c(c1)[C@@H]1O[C@H](CO)CC[C@@H]1[C@@H](c1ccccc1)N2.Cc1cc(F)c2c(c1)[C@H]1O[C@@H](CN)CC[C@H]1[C@H](c1ccccc1)N2.Cc1cc(F)c2c(c1)[C@H]1O[C@@H](CNC(=O)NCCN(C)C)CC[C@H]1[C@H](c1ccccc1)N2.Cc1cc(F)c2c(c1)[C@H]1O[C@@H](CO)CC[C@H]1[C@H](c1ccccc1)N2.OC[C@H]1CC[C@@H]2[C@H](O1)c1cc(Cl)cc(F)c1N[C@H]2c1ccccc1.
What is the InChIKey of [(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]methanol;[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanamine;[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;[(2S,4aR,5S,10bR)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;1-[[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-[2-(dimethylamino)ethyl]urea;1-[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;methane?
The InChIKey is RWHITCSABOGFKO-CYHGRUORSA-N. The full InChI is InChI=1S/C25H33FN4O2.C21H25FN2O.C20H23FN2O.2C20H22FNO2.C19H19ClFNO2.CH4/c1-16-13-20-23(21(26)14-16)29-22(17-7-5-4-6-8-17)19-10-9-18(32-24(19)20)15-28-25(31)27-11-12-30(2)3;1-13-10-17-20(18(22)11-13)24-19(14-6-4-3-5-7-14)16-9-8-15(12-23-2)25-21(16)17;1-12-9-16-19(17(21)10-12)23-18(13-5-3-2-4-6-13)15-8-7-14(11-22)24-20(15)16;2*1-12-9-16-19(17(21)10-12)22-18(13-5-3-2-4-6-13)15-8-7-14(11-23)24-20(15)16;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;/h4-8,13-14,18-19,22,24,29H,9-12,15H2,1-3H3,(H2,27,28,31);3-7,10-11,15-16,19,21,23-24H,8-9,12H2,1-2H3;2-6,9-10,14-15,18,20,23H,7-8,11,22H2,1H3;2*2-6,9-10,14-15,18,20,22-23H,7-8,11H2,1H3;1-5,8-9,13-14,17,19,22-23H,6-7,10H2;1H4/t18-,19+,22+,24+;15-,16+,19+,21+;3*14-,15+,18+,20+;13-,14+,17+,19+;/m111101./s1.
What are the key properties of [(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]methanol;[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanamine;[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;[(2S,4aR,5S,10bR)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;1-[[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-[2-(dimethylamino)ethyl]urea;1-[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;methane?
[(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]methanol;[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanamine;[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;[(2S,4aR,5S,10bR)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;1-[[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-[2-(dimethylamino)ethyl]urea;1-[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;methane has a molecular weight of 2126.08 g/mol, XLogP of 25.82, 17 rotatable bonds, 13 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for [(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]methanol;[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanamine;[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;[(2S,4aR,5S,10bR)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;1-[[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-[2-(dimethylamino)ethyl]urea;1-[(2R,4aS,5R,10bS)-7-fluoro-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-methylmethanamine;methane is sourced from PubChem (CID 160746841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).