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

C132H136F4N26O — CID 160801395

IUPAC3-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
SMILESC=Cc1cnc2ccc([C@H](CC)c3nc[nH]c3C)cc2c1.CCC(c1ccc2c(F)cncc2c1)c1nc[nH]c1C.CCCCC(c1nc[nH]c1C)c1cccc2ncc(C#N)cc12.CNCc1cccc2ncc(C(c3nc[nH]c3C)C(F)(F)F)cc12.Cc1[nH]cnc1C(c1ccc(CO)c2ncccc12)C(C)C.Cc1[nH]cnc1Cc1cccc2c(C)nccc12.Cc1[nH]cnc1Cc1cccc2ncccc12.Cc1[nH]cnc1[C@H](C)c1ccc2cccnc2c1
InChIInChI=1S/C19H20N4.C18H21N3O.C18H19N3.C17H17F3N4.C16H16FN3.2C15H15N3.C14H13N3/c1-3-4-6-16(19-13(2)22-12-23-19)15-7-5-8-18-17(15)9-14(10-20)11-21-18;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;1-4-13-8-15-9-14(6-7-17(15)19-10-13)16(5-2)18-12(3)20-11-21-18;1-10-16(24-9-23-10)15(17(18,19)20)12-6-13-11(7-21-2)4-3-5-14(13)22-8-12;1-3-13(16-10(2)19-9-20-16)11-4-5-14-12(6-11)7-18-8-15(14)17;1-10(15-11(2)17-9-18-15)13-6-5-12-4-3-7-16-14(12)8-13;1-10-13-5-3-4-12(14(13)6-7-16-10)8-15-11(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/h5,7-9,11-12,16H,3-4,6H2,1-2H3,(H,22,23);4-8,10-11,16,22H,9H2,1-3H3,(H,20,21);4,6-11,16H,1,5H2,2-3H3,(H,20,21);3-6,8-9,15,21H,7H2,1-2H3,(H,23,24);4-9,13H,3H2,1-2H3,(H,19,20);3-10H,1-2H3,(H,17,18);3-7,9H,8H2,1-2H3,(H,17,18);2-7,9H,8H2,1H3,(H,16,17)/t;;16-;;;10-;;/m..0..1../s1
InChIKeySDCQXRRBYUCQFI-RARVIFIKSA-N
MW2178.71 g/mol
LogP29.53
Rot. Bonds26

About 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

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 (PubChem CID 160801395) has the molecular formula C132H136F4N26O and a molecular weight of 2178.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID160801395
Molecular FormulaC132H136F4N26O
Molecular Weight2178.71 g/mol
Exact Mass2177.13
IUPAC Name3-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
SMILESC=Cc1cnc2ccc([C@H](CC)c3nc[nH]c3C)cc2c1.CCC(c1ccc2c(F)cncc2c1)c1nc[nH]c1C.CCCCC(c1nc[nH]c1C)c1cccc2ncc(C#N)cc12.CNCc1cccc2ncc(C(c3nc[nH]c3C)C(F)(F)F)cc12.Cc1[nH]cnc1C(c1ccc(CO)c2ncccc12)C(C)C.Cc1[nH]cnc1Cc1cccc2c(C)nccc12.Cc1[nH]cnc1Cc1cccc2ncccc12.Cc1[nH]cnc1[C@H](C)c1ccc2cccnc2c1
InChIInChI=1S/C19H20N4.C18H21N3O.C18H19N3.C17H17F3N4.C16H16FN3.2C15H15N3.C14H13N3/c1-3-4-6-16(19-13(2)22-12-23-19)15-7-5-8-18-17(15)9-14(10-20)11-21-18;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;1-4-13-8-15-9-14(6-7-17(15)19-10-13)16(5-2)18-12(3)20-11-21-18;1-10-16(24-9-23-10)15(17(18,19)20)12-6-13-11(7-21-2)4-3-5-14(13)22-8-12;1-3-13(16-10(2)19-9-20-16)11-4-5-14-12(6-11)7-18-8-15(14)17;1-10(15-11(2)17-9-18-15)13-6-5-12-4-3-7-16-14(12)8-13;1-10-13-5-3-4-12(14(13)6-7-16-10)8-15-11(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/h5,7-9,11-12,16H,3-4,6H2,1-2H3,(H,22,23);4-8,10-11,16,22H,9H2,1-3H3,(H,20,21);4,6-11,16H,1,5H2,2-3H3,(H,20,21);3-6,8-9,15,21H,7H2,1-2H3,(H,23,24);4-9,13H,3H2,1-2H3,(H,19,20);3-10H,1-2H3,(H,17,18);3-7,9H,8H2,1-2H3,(H,17,18);2-7,9H,8H2,1H3,(H,16,17)/t;;16-;;;10-;;/m..0..1../s1
InChIKeySDCQXRRBYUCQFI-RARVIFIKSA-N
XLogP29.53
TPSA388.61 Ų
H-Bond Donors10
H-Bond Acceptors19
Rotatable Bonds26
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002178.71
LogP ≤ 529.53
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1019

Analyze 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 with MolForge

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Related Compounds

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
2-(5,6-difluoro-3H-inden-1-yl)-6-methylquinoline;2-(6-fluoro-5-methyl-3H-inden-1-yl)-8-(trifluoromethyl)quinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-3,3-dimethylindole;3-(1H-indol-3-yl)quinoline;bis(3-(7-methyl-1H-indol-3-yl)quinoline);[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]methanol
CID 157712586
[3-[10-[4-(5,7-Diphenylpyrido[3,4-b]indol-9-yl)-3-fluorophenyl]anthracen-9-yl]phenyl]methanol;9-[4-(2-fluoro-10-phenanthren-9-ylanthracen-9-yl)-3-methylphenyl]-5,6-diphenylpyrido[2,3-b]indole;5-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-8-phenylpyrido[4,3-b]indole;5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenyl-8-[4-(trifluoromethyl)phenyl]pyrido[4,3-b]indole
CID 159541882
2-(5,6-difluoro-3H-inden-1-yl)-6-methylquinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-8-fluoroquinoline;2-(6-fluoro-5-methyl-3H-inden-1-yl)-8-(trifluoromethyl)quinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-3,3-dimethylindole;3-(1H-indol-3-yl)quinoline;[2-(4-methyl-3H-inden-1-yl)quinolin-5-yl]methanol;bis(3-(7-methyl-1H-indol-3-yl)quinoline)
CID 159686413
5-[3-[10-(3-Tert-butylphenyl)anthracen-9-yl]-5-pyridin-3-ylphenyl]-8-methylpyrido[3,2-b]indole;[3-[10-[4-(5,7-diphenylpyrido[3,4-b]indol-9-yl)-3-fluorophenyl]anthracen-9-yl]phenyl]methanol;9-[4-(2-fluoro-10-phenanthren-9-ylanthracen-9-yl)-3-methylphenyl]-5,6-diphenylpyrido[2,3-b]indole;5-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-8-phenylpyrido[4,3-b]indole;9-[3-methyl-5-(10-phenylanthracen-9-yl)phenyl]pyrido[3,4-b]indole;5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenyl-8-[4-(trifluoromethyl)phenyl]pyrido[4,3-b]indole;8-(3-naphthalen-1-ylphenyl)-5-[3-(10-phenylanthracen-9-yl)phenyl]pyrido[4,3-b]indole;5-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]-9-phenylpyrido[3,2-b]indole
CID 159934034
CID 161296183
CID 161296183
2-(5,6-difluoro-1H-indol-3-yl)-6-methylquinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-8-fluoroquinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(5-fluoro-6-methyl-1H-indol-3-yl)-8-(trifluoromethyl)quinoline;2-(1H-indol-3-yl)-3,3-dimethylindole;3-(1H-indol-3-yl)quinoline;bis(3-(7-methyl-1H-indol-3-yl)quinoline);[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]methanol
CID 161411202
4-[(1S)-1-(7-ethenylnaphthalen-2-yl)propyl]-5-methyl-1H-imidazole;4-[1-(5-fluoronaphthalen-2-yl)propyl]-5-methyl-1H-imidazole;8-[1-(5-methyl-1H-imidazol-4-yl)pentyl]naphthalene-2-carbonitrile;[4-[2-methyl-1-(5-methyl-1H-imidazol-4-yl)propyl]naphthalen-1-yl]methanol;5-methyl-4-[(5-methylnaphthalen-1-yl)methyl]-1H-imidazole;5-methyl-4-[(1R)-1-naphthalen-2-ylethyl]-1H-imidazole;5-methyl-4-(naphthalen-1-ylmethyl)-1H-imidazole;N-methyl-1-[7-[2,2,2-trifluoro-1-(5-methyl-1H-imidazol-4-yl)ethyl]naphthalen-1-yl]methanamine
CID 161575204
[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenyl]methanamine;[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenyl]methanol
CID 157589701
cyclohexen-1-yl-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]methanol;N,N-dimethyl-1-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]methanamine;4-[2-(1-fluoronaphthalen-2-yl)-4-(3-methylphenyl)-1H-imidazol-5-yl]pyridine;4-[4-(3-methylphenyl)-1H-imidazol-5-yl]pyridine;bis(4-[4-(3-methylphenyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]pyridine);4-[4-(3-methylphenyl)-2-pent-1-ynyl-1H-imidazol-5-yl]pyridine
CID 157924073
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
[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenyl]methanol;6-[5-(6-methyl-2-pyridinyl)-2-[(3-pyrrolidin-1-ylphenyl)methyl]-1H-imidazol-4-yl]quinoline
CID 160356244

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=Cc1cnc2ccc([C@H](CC)c3nc[nH]c3C)cc2c1.CCC(c1ccc2c(F)cncc2c1)c1nc[nH]c1C.CCCCC(c1nc[nH]c1C)c1cccc2ncc(C#N)cc12.CNCc1cccc2ncc(C(c3nc[nH]c3C)C(F)(F)F)cc12.Cc1[nH]cnc1C(c1ccc(CO)c2ncccc12)C(C)C.Cc1[nH]cnc1Cc1cccc2c(C)nccc12.Cc1[nH]cnc1Cc1cccc2ncccc12.Cc1[nH]cnc1[C@H](C)c1ccc2cccnc2c1.
What is the InChIKey of 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?
The InChIKey is SDCQXRRBYUCQFI-RARVIFIKSA-N. The full InChI is InChI=1S/C19H20N4.C18H21N3O.C18H19N3.C17H17F3N4.C16H16FN3.2C15H15N3.C14H13N3/c1-3-4-6-16(19-13(2)22-12-23-19)15-7-5-8-18-17(15)9-14(10-20)11-21-18;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;1-4-13-8-15-9-14(6-7-17(15)19-10-13)16(5-2)18-12(3)20-11-21-18;1-10-16(24-9-23-10)15(17(18,19)20)12-6-13-11(7-21-2)4-3-5-14(13)22-8-12;1-3-13(16-10(2)19-9-20-16)11-4-5-14-12(6-11)7-18-8-15(14)17;1-10(15-11(2)17-9-18-15)13-6-5-12-4-3-7-16-14(12)8-13;1-10-13-5-3-4-12(14(13)6-7-16-10)8-15-11(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/h5,7-9,11-12,16H,3-4,6H2,1-2H3,(H,22,23);4-8,10-11,16,22H,9H2,1-3H3,(H,20,21);4,6-11,16H,1,5H2,2-3H3,(H,20,21);3-6,8-9,15,21H,7H2,1-2H3,(H,23,24);4-9,13H,3H2,1-2H3,(H,19,20);3-10H,1-2H3,(H,17,18);3-7,9H,8H2,1-2H3,(H,17,18);2-7,9H,8H2,1H3,(H,16,17)/t;;16-;;;10-;;/m..0..1../s1.
What are the key properties of 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?
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 has a molecular weight of 2178.71 g/mol, XLogP of 29.53, 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]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 is sourced from PubChem (CID 160801395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).