3-ethenyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroisoquinoline;4-fluoro-7-[1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinoline;7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-5,6,7,8-tetrahydroisoquinoline;5-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6,7,8-tetrahydroquinoline;8-[1-(5-methyl-1H-imidazol-4-yl)pentyl]-5,6,7,8-tetrahydroquinoline-2-carbonitrile;4-methyl-8-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6,7,8-tetrahydroisoquinoline;[5-[2-methyl-1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-yl]methanol;N-methyl-1-[6-[2,2,2-trifluoro-1-(5-methyl-1H-imidazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinolin-4-yl]methanamine

C132H168F4N26O — CID 157271439

IUPAC3-ethenyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroisoquinoline;4-fluoro-7-[1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinoline;7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-5,6,7,8-tetrahydroisoquinoline;5-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6,7,8-tetrahydroquinoline;8-[1-(5-methyl-1H-imidazol-4-yl)pentyl]-5,6,7,8-tetrahydroquinoline-2-carbonitrile;4-methyl-8-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6,7,8-tetrahydroisoquinoline;[5-[2-methyl-1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-yl]methanol;N-methyl-1-[6-[2,2,2-trifluoro-1-(5-methyl-1H-imidazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinolin-4-yl]methanamine
SMILESC=Cc1cc2c(cn1)CCC([C@H](CC)c1nc[nH]c1C)C2.CCC(c1nc[nH]c1C)C1CCc2c(F)ccnc2C1.CCCCC(c1nc[nH]c1C)C1CCCc2ccc(C#N)nc21.CNCc1ccnc2c1CC(C(c1nc[nH]c1C)C(F)(F)F)CC2.Cc1[nH]cnc1C(C(C)C)C1CCC(CO)c2ncccc21.Cc1[nH]cnc1CC1CCCc2ncccc21.Cc1[nH]cnc1[C@H](C)C1CCc2ccncc2C1.Cc1cncc2c1CCCC2Cc1nc[nH]c1C
InChIInChI=1S/C19H24N4.C18H25N3O.C18H23N3.C17H21F3N4.C16H20FN3.2C15H19N3.C14H17N3/c1-3-4-7-16(18-13(2)21-12-22-18)17-8-5-6-14-9-10-15(11-20)23-19(14)17;1-11(2)16(17-12(3)20-10-21-17)14-7-6-13(9-22)18-15(14)5-4-8-19-18;1-4-16-9-15-8-13(6-7-14(15)10-19-16)17(5-2)18-12(3)20-11-21-18;1-10-16(24-9-23-10)15(17(18,19)20)11-3-4-14-13(7-11)12(8-21-2)5-6-22-14;1-3-12(16-10(2)19-9-20-16)11-4-5-13-14(17)6-7-18-15(13)8-11;1-10(15-11(2)17-9-18-15)13-4-3-12-5-6-16-8-14(12)7-13;1-10-7-16-8-14-12(4-3-5-13(10)14)6-15-11(2)17-9-18-15;1-10-14(17-9-16-10)8-11-4-2-6-13-12(11)5-3-7-15-13/h9-10,12,16-17H,3-8H2,1-2H3,(H,21,22);4-5,8,10-11,13-14,16,22H,6-7,9H2,1-3H3,(H,20,21);4,9-11,13,17H,1,5-8H2,2-3H3,(H,20,21);5-6,9,11,15,21H,3-4,7-8H2,1-2H3,(H,23,24);6-7,9,11-12H,3-5,8H2,1-2H3,(H,19,20);5-6,8-10,13H,3-4,7H2,1-2H3,(H,17,18);7-9,12H,3-6H2,1-2H3,(H,17,18);3,5,7,9,11H,2,4,6,8H2,1H3,(H,16,17)/t;;13?,17-;;;10-,13?;;/m..0..1../s1
InChIKeyAYOXFNJLFRULBD-QOXDNQKOSA-N
MW2210.97 g/mol
LogP27.66
Rot. Bonds26

About 3-ethenyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroisoquinoline;4-fluoro-7-[1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinoline;7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-5,6,7,8-tetrahydroisoquinoline;5-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6,7,8-tetrahydroquinoline;8-[1-(5-methyl-1H-imidazol-4-yl)pentyl]-5,6,7,8-tetrahydroquinoline-2-carbonitrile;4-methyl-8-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6,7,8-tetrahydroisoquinoline;[5-[2-methyl-1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-yl]methanol;N-methyl-1-[6-[2,2,2-trifluoro-1-(5-methyl-1H-imidazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinolin-4-yl]methanamine

3-ethenyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroisoquinoline;4-fluoro-7-[1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinoline;7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-5,6,7,8-tetrahydroisoquinoline;5-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6,7,8-tetrahydroquinoline;8-[1-(5-methyl-1H-imidazol-4-yl)pentyl]-5,6,7,8-tetrahydroquinoline-2-carbonitrile;4-methyl-8-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6,7,8-tetrahydroisoquinoline;[5-[2-methyl-1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-yl]methanol;N-methyl-1-[6-[2,2,2-trifluoro-1-(5-methyl-1H-imidazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinolin-4-yl]methanamine (PubChem CID 157271439) has the molecular formula C132H168F4N26O and a molecular weight of 2210.97 g/mol. Its IUPAC name is 3-ethenyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroisoquinoline;4-fluoro-7-[1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinoline;7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-5,6,7,8-tetrahydroisoquinoline;5-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6,7,8-tetrahydroquinoline;8-[1-(5-methyl-1H-imidazol-4-yl)pentyl]-5,6,7,8-tetrahydroquinoline-2-carbonitrile;4-methyl-8-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6,7,8-tetrahydroisoquinoline;[5-[2-methyl-1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-yl]methanol;N-methyl-1-[6-[2,2,2-trifluoro-1-(5-methyl-1H-imidazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinolin-4-yl]methanamine.

Molecular Properties

Compound Name3-ethenyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroisoquinoline;4-fluoro-7-[1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinoline;7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-5,6,7,8-tetrahydroisoquinoline;5-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6,7,8-tetrahydroquinoline;8-[1-(5-methyl-1H-imidazol-4-yl)pentyl]-5,6,7,8-tetrahydroquinoline-2-carbonitrile;4-methyl-8-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6,7,8-tetrahydroisoquinoline;[5-[2-methyl-1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-yl]methanol;N-methyl-1-[6-[2,2,2-trifluoro-1-(5-methyl-1H-imidazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinolin-4-yl]methanamine
PubChem CID157271439
Molecular FormulaC132H168F4N26O
Molecular Weight2210.97 g/mol
Exact Mass2209.38
IUPAC Name3-ethenyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroisoquinoline;4-fluoro-7-[1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinoline;7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-5,6,7,8-tetrahydroisoquinoline;5-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6,7,8-tetrahydroquinoline;8-[1-(5-methyl-1H-imidazol-4-yl)pentyl]-5,6,7,8-tetrahydroquinoline-2-carbonitrile;4-methyl-8-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6,7,8-tetrahydroisoquinoline;[5-[2-methyl-1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-yl]methanol;N-methyl-1-[6-[2,2,2-trifluoro-1-(5-methyl-1H-imidazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinolin-4-yl]methanamine
SMILESC=Cc1cc2c(cn1)CCC([C@H](CC)c1nc[nH]c1C)C2.CCC(c1nc[nH]c1C)C1CCc2c(F)ccnc2C1.CCCCC(c1nc[nH]c1C)C1CCCc2ccc(C#N)nc21.CNCc1ccnc2c1CC(C(c1nc[nH]c1C)C(F)(F)F)CC2.Cc1[nH]cnc1C(C(C)C)C1CCC(CO)c2ncccc21.Cc1[nH]cnc1CC1CCCc2ncccc21.Cc1[nH]cnc1[C@H](C)C1CCc2ccncc2C1.Cc1cncc2c1CCCC2Cc1nc[nH]c1C
InChIInChI=1S/C19H24N4.C18H25N3O.C18H23N3.C17H21F3N4.C16H20FN3.2C15H19N3.C14H17N3/c1-3-4-7-16(18-13(2)21-12-22-18)17-8-5-6-14-9-10-15(11-20)23-19(14)17;1-11(2)16(17-12(3)20-10-21-17)14-7-6-13(9-22)18-15(14)5-4-8-19-18;1-4-16-9-15-8-13(6-7-14(15)10-19-16)17(5-2)18-12(3)20-11-21-18;1-10-16(24-9-23-10)15(17(18,19)20)11-3-4-14-13(7-11)12(8-21-2)5-6-22-14;1-3-12(16-10(2)19-9-20-16)11-4-5-13-14(17)6-7-18-15(13)8-11;1-10(15-11(2)17-9-18-15)13-4-3-12-5-6-16-8-14(12)7-13;1-10-7-16-8-14-12(4-3-5-13(10)14)6-15-11(2)17-9-18-15;1-10-14(17-9-16-10)8-11-4-2-6-13-12(11)5-3-7-15-13/h9-10,12,16-17H,3-8H2,1-2H3,(H,21,22);4-5,8,10-11,13-14,16,22H,6-7,9H2,1-3H3,(H,20,21);4,9-11,13,17H,1,5-8H2,2-3H3,(H,20,21);5-6,9,11,15,21H,3-4,7-8H2,1-2H3,(H,23,24);6-7,9,11-12H,3-5,8H2,1-2H3,(H,19,20);5-6,8-10,13H,3-4,7H2,1-2H3,(H,17,18);7-9,12H,3-6H2,1-2H3,(H,17,18);3,5,7,9,11H,2,4,6,8H2,1H3,(H,16,17)/t;;13?,17-;;;10-,13?;;/m..0..1../s1
InChIKeyAYOXFNJLFRULBD-QOXDNQKOSA-N
XLogP27.66
TPSA388.61 Ų
H-Bond Donors10
H-Bond Acceptors19
Rotatable Bonds26
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002210.97
LogP ≤ 527.66
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1019

Analyze 3-ethenyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroisoquinoline;4-fluoro-7-[1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinoline;7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-5,6,7,8-tetrahydroisoquinoline;5-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6,7,8-tetrahydroquinoline;8-[1-(5-methyl-1H-imidazol-4-yl)pentyl]-5,6,7,8-tetrahydroquinoline-2-carbonitrile;4-methyl-8-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6,7,8-tetrahydroisoquinoline;[5-[2-methyl-1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-yl]methanol;N-methyl-1-[6-[2,2,2-trifluoro-1-(5-methyl-1H-imidazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinolin-4-yl]methanamine with MolForge

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Related Compounds

12-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[4-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[4-(1,4-oxazepan-4-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
CID 158695017
3-ethenyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)propyl]quinoline;4-fluoro-7-[1-(5-methyl-1H-imidazol-4-yl)propyl]isoquinoline;7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]quinoline;5-[(5-methyl-1H-imidazol-4-yl)methyl]quinoline;5-[1-(5-methyl-1H-imidazol-4-yl)pentyl]quinoline-3-carbonitrile;1-methyl-5-[(5-methyl-1H-imidazol-4-yl)methyl]isoquinoline;[5-[2-methyl-1-(5-methyl-1H-imidazol-4-yl)propyl]quinolin-8-yl]methanol;N-methyl-1-[3-[2,2,2-trifluoro-1-(5-methyl-1H-imidazol-4-yl)ethyl]quinolin-5-yl]methanamine
CID 160801395
3-[(2,3-difluorophenyl)-(1H-imidazol-5-yl)methyl]pyridine;4-[(2,3-difluorophenyl)-(1H-imidazol-5-yl)methyl]pyridine;2-[(2-fluorophenyl)-(1H-imidazol-5-yl)methyl]pyridine;2-[(3-fluorophenyl)-(1H-imidazol-5-yl)methyl]pyridine;3-[(2-fluorophenyl)-(1H-imidazol-5-yl)methyl]pyridine;3-[(3-fluorophenyl)-(1H-imidazol-5-yl)methyl]pyridine;4-[(2-fluorophenyl)-(1H-imidazol-5-yl)methyl]pyridine;4-[(3-fluorophenyl)-(1H-imidazol-5-yl)methyl]pyridine;2-[1H-imidazol-5-yl-(2-methylphenyl)methyl]pyridine;3-[1H-imidazol-5-yl-(2-methylphenyl)methyl]pyridine;4-[1H-imidazol-5-yl-(2-methylphenyl)methyl]pyridine;2-[1H-imidazol-5-yl(phenyl)methyl]pyridine
CID 158524502
3-ethenyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)propyl]quinoline;4-fluoro-7-[1-(5-methyl-1H-imidazol-4-yl)propyl]isoquinoline;7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]quinoline;5-[(5-methyl-1H-imidazol-4-yl)methyl]quinoline;5-[1-(5-methyl-1H-imidazol-4-yl)pentyl]quinoline-3-carbonitrile;[5-[2-methyl-1-(5-methyl-1H-imidazol-4-yl)propyl]quinolin-8-yl]methanol
CID 159566053

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroisoquinoline;4-fluoro-7-[1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinoline;7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-5,6,7,8-tetrahydroisoquinoline;5-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6,7,8-tetrahydroquinoline;8-[1-(5-methyl-1H-imidazol-4-yl)pentyl]-5,6,7,8-tetrahydroquinoline-2-carbonitrile;4-methyl-8-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6,7,8-tetrahydroisoquinoline;[5-[2-methyl-1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-yl]methanol;N-methyl-1-[6-[2,2,2-trifluoro-1-(5-methyl-1H-imidazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinolin-4-yl]methanamine?
The IUPAC name of 3-ethenyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroisoquinoline;4-fluoro-7-[1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinoline;7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-5,6,7,8-tetrahydroisoquinoline;5-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6,7,8-tetrahydroquinoline;8-[1-(5-methyl-1H-imidazol-4-yl)pentyl]-5,6,7,8-tetrahydroquinoline-2-carbonitrile;4-methyl-8-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6,7,8-tetrahydroisoquinoline;[5-[2-methyl-1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-yl]methanol;N-methyl-1-[6-[2,2,2-trifluoro-1-(5-methyl-1H-imidazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinolin-4-yl]methanamine (CID 157271439) is 3-ethenyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroisoquinoline;4-fluoro-7-[1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinoline;7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-5,6,7,8-tetrahydroisoquinoline;5-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6,7,8-tetrahydroquinoline;8-[1-(5-methyl-1H-imidazol-4-yl)pentyl]-5,6,7,8-tetrahydroquinoline-2-carbonitrile;4-methyl-8-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6,7,8-tetrahydroisoquinoline;[5-[2-methyl-1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-yl]methanol;N-methyl-1-[6-[2,2,2-trifluoro-1-(5-methyl-1H-imidazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinolin-4-yl]methanamine.
What is the SMILES notation for 3-ethenyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroisoquinoline;4-fluoro-7-[1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinoline;7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-5,6,7,8-tetrahydroisoquinoline;5-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6,7,8-tetrahydroquinoline;8-[1-(5-methyl-1H-imidazol-4-yl)pentyl]-5,6,7,8-tetrahydroquinoline-2-carbonitrile;4-methyl-8-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6,7,8-tetrahydroisoquinoline;[5-[2-methyl-1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-yl]methanol;N-methyl-1-[6-[2,2,2-trifluoro-1-(5-methyl-1H-imidazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinolin-4-yl]methanamine?
The canonical SMILES for 3-ethenyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroisoquinoline;4-fluoro-7-[1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinoline;7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-5,6,7,8-tetrahydroisoquinoline;5-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6,7,8-tetrahydroquinoline;8-[1-(5-methyl-1H-imidazol-4-yl)pentyl]-5,6,7,8-tetrahydroquinoline-2-carbonitrile;4-methyl-8-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6,7,8-tetrahydroisoquinoline;[5-[2-methyl-1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-yl]methanol;N-methyl-1-[6-[2,2,2-trifluoro-1-(5-methyl-1H-imidazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinolin-4-yl]methanamine is C=Cc1cc2c(cn1)CCC([C@H](CC)c1nc[nH]c1C)C2.CCC(c1nc[nH]c1C)C1CCc2c(F)ccnc2C1.CCCCC(c1nc[nH]c1C)C1CCCc2ccc(C#N)nc21.CNCc1ccnc2c1CC(C(c1nc[nH]c1C)C(F)(F)F)CC2.Cc1[nH]cnc1C(C(C)C)C1CCC(CO)c2ncccc21.Cc1[nH]cnc1CC1CCCc2ncccc21.Cc1[nH]cnc1[C@H](C)C1CCc2ccncc2C1.Cc1cncc2c1CCCC2Cc1nc[nH]c1C.
What is the InChIKey of 3-ethenyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroisoquinoline;4-fluoro-7-[1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinoline;7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-5,6,7,8-tetrahydroisoquinoline;5-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6,7,8-tetrahydroquinoline;8-[1-(5-methyl-1H-imidazol-4-yl)pentyl]-5,6,7,8-tetrahydroquinoline-2-carbonitrile;4-methyl-8-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6,7,8-tetrahydroisoquinoline;[5-[2-methyl-1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-yl]methanol;N-methyl-1-[6-[2,2,2-trifluoro-1-(5-methyl-1H-imidazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinolin-4-yl]methanamine?
The InChIKey is AYOXFNJLFRULBD-QOXDNQKOSA-N. The full InChI is InChI=1S/C19H24N4.C18H25N3O.C18H23N3.C17H21F3N4.C16H20FN3.2C15H19N3.C14H17N3/c1-3-4-7-16(18-13(2)21-12-22-18)17-8-5-6-14-9-10-15(11-20)23-19(14)17;1-11(2)16(17-12(3)20-10-21-17)14-7-6-13(9-22)18-15(14)5-4-8-19-18;1-4-16-9-15-8-13(6-7-14(15)10-19-16)17(5-2)18-12(3)20-11-21-18;1-10-16(24-9-23-10)15(17(18,19)20)11-3-4-14-13(7-11)12(8-21-2)5-6-22-14;1-3-12(16-10(2)19-9-20-16)11-4-5-13-14(17)6-7-18-15(13)8-11;1-10(15-11(2)17-9-18-15)13-4-3-12-5-6-16-8-14(12)7-13;1-10-7-16-8-14-12(4-3-5-13(10)14)6-15-11(2)17-9-18-15;1-10-14(17-9-16-10)8-11-4-2-6-13-12(11)5-3-7-15-13/h9-10,12,16-17H,3-8H2,1-2H3,(H,21,22);4-5,8,10-11,13-14,16,22H,6-7,9H2,1-3H3,(H,20,21);4,9-11,13,17H,1,5-8H2,2-3H3,(H,20,21);5-6,9,11,15,21H,3-4,7-8H2,1-2H3,(H,23,24);6-7,9,11-12H,3-5,8H2,1-2H3,(H,19,20);5-6,8-10,13H,3-4,7H2,1-2H3,(H,17,18);7-9,12H,3-6H2,1-2H3,(H,17,18);3,5,7,9,11H,2,4,6,8H2,1H3,(H,16,17)/t;;13?,17-;;;10-,13?;;/m..0..1../s1.
What are the key properties of 3-ethenyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroisoquinoline;4-fluoro-7-[1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinoline;7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-5,6,7,8-tetrahydroisoquinoline;5-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6,7,8-tetrahydroquinoline;8-[1-(5-methyl-1H-imidazol-4-yl)pentyl]-5,6,7,8-tetrahydroquinoline-2-carbonitrile;4-methyl-8-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6,7,8-tetrahydroisoquinoline;[5-[2-methyl-1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-yl]methanol;N-methyl-1-[6-[2,2,2-trifluoro-1-(5-methyl-1H-imidazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinolin-4-yl]methanamine?
3-ethenyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroisoquinoline;4-fluoro-7-[1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinoline;7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-5,6,7,8-tetrahydroisoquinoline;5-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6,7,8-tetrahydroquinoline;8-[1-(5-methyl-1H-imidazol-4-yl)pentyl]-5,6,7,8-tetrahydroquinoline-2-carbonitrile;4-methyl-8-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6,7,8-tetrahydroisoquinoline;[5-[2-methyl-1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-yl]methanol;N-methyl-1-[6-[2,2,2-trifluoro-1-(5-methyl-1H-imidazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinolin-4-yl]methanamine has a molecular weight of 2210.97 g/mol, XLogP of 27.66, 26 rotatable bonds, 10 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroisoquinoline;4-fluoro-7-[1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinoline;7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-5,6,7,8-tetrahydroisoquinoline;5-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6,7,8-tetrahydroquinoline;8-[1-(5-methyl-1H-imidazol-4-yl)pentyl]-5,6,7,8-tetrahydroquinoline-2-carbonitrile;4-methyl-8-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6,7,8-tetrahydroisoquinoline;[5-[2-methyl-1-(5-methyl-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-yl]methanol;N-methyl-1-[6-[2,2,2-trifluoro-1-(5-methyl-1H-imidazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinolin-4-yl]methanamine is sourced from PubChem (CID 157271439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).