1-(3-cyclohexyloxyphenyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-cyclohexyloxyphenyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-cyclohexyloxy-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(1-fluoroethoxy)phenyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone

C285H287FN46O18 — CID 158980630

IUPAC1-(3-cyclohexyloxyphenyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-cyclohexyloxyphenyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-cyclohexyloxy-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(1-fluoroethoxy)phenyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone
SMILESCC(F)Oc1ccc(C(=O)Cc2cc3cc(-c4cncn4C)ccc3cn2)cc1.CN1CCC(Oc2cc(C(=O)Cc3cc4cc(-c5cncn5C)ccc4cn3)ccn2)CC1.CN1CCC(Oc2ccc(C(=O)Cc3cc4cc(-c5cncn5C)ccc4cn3)cc2)CC1.CN1CCC(Oc2cccc(C(=O)Cc3cc4cc(-c5cncn5C)ccc4cn3)c2)CC1.CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cncn5C)ccc4cn3)ccn2)CC1.CN1CCN(c2cccc(C(=O)Cc3cc4cc(-c5cncn5C)ccc4cn3)c2)CC1.Cn1cncc1-c1ccc2cnc(CC(=O)c3ccc(OC4CCCCC4)cc3)cc2c1.Cn1cncc1-c1ccc2cnc(CC(=O)c3cccc(N4CCCCC4)c3)cc2c1.Cn1cncc1-c1ccc2cnc(CC(=O)c3cccc(OC4CCCCC4)c3)cc2c1.Cn1cncc1-c1ccc2cnc(CC(=O)c3ccnc(N4CCCCC4)c3)cc2c1.Cn1cncc1-c1ccc2cnc(CC(=O)c3ccnc(OC4CCCCC4)c3)cc2c1
InChIInChI=1S/2C27H28N4O2.2C27H27N3O2.C26H27N5O2.C26H27N5O.C26H26N4O2.C26H26N4O.C25H26N6O.C25H25N5O.C23H20FN3O2/c1-30-11-9-25(10-12-30)33-24-7-5-19(6-8-24)27(32)15-23-14-22-13-20(3-4-21(22)16-29-23)26-17-28-18-31(26)2;1-30-10-8-24(9-11-30)33-25-5-3-4-20(14-25)27(32)15-23-13-22-12-19(6-7-21(22)16-29-23)26-17-28-18-31(26)2;1-30-18-28-17-26(30)19-10-11-21-16-29-23(13-22(21)12-19)15-27(31)20-6-5-9-25(14-20)32-24-7-3-2-4-8-24;1-30-18-28-17-26(30)20-7-8-21-16-29-23(14-22(21)13-20)15-27(31)19-9-11-25(12-10-19)32-24-5-3-2-4-6-24;1-30-9-6-23(7-10-30)33-26-13-19(5-8-28-26)25(32)14-22-12-21-11-18(3-4-20(21)15-29-22)24-16-27-17-31(24)2;1-29-8-10-31(11-9-29)24-5-3-4-20(14-24)26(32)15-23-13-22-12-19(6-7-21(22)16-28-23)25-17-27-18-30(25)2;1-30-17-27-16-24(30)18-7-8-20-15-29-22(12-21(20)11-18)14-25(31)19-9-10-28-26(13-19)32-23-5-3-2-4-6-23;1-29-18-27-17-25(29)19-8-9-21-16-28-23(13-22(21)12-19)15-26(31)20-6-5-7-24(14-20)30-10-3-2-4-11-30;1-29-7-9-31(10-8-29)25-13-19(5-6-27-25)24(32)14-22-12-21-11-18(3-4-20(21)15-28-22)23-16-26-17-30(23)2;1-29-17-26-16-23(29)18-5-6-20-15-28-22(12-21(20)11-18)14-24(31)19-7-8-27-25(13-19)30-9-3-2-4-10-30;1-15(24)29-21-7-5-16(6-8-21)23(28)11-20-10-19-9-17(3-4-18(19)12-26-20)22-13-25-14-27(22)2/h3-8,13-14,16-18,25H,9-12,15H2,1-2H3;3-7,12-14,16-18,24H,8-11,15H2,1-2H3;5-6,9-14,16-18,24H,2-4,7-8,15H2,1H3;7-14,16-18,24H,2-6,15H2,1H3;3-5,8,11-13,15-17,23H,6-7,9-10,14H2,1-2H3;3-7,12-14,16-18H,8-11,15H2,1-2H3;7-13,15-17,23H,2-6,14H2,1H3;5-9,12-14,16-18H,2-4,10-11,15H2,1H3;3-6,11-13,15-17H,7-10,14H2,1-2H3;5-8,11-13,15-17H,2-4,9-10,14H2,1H3;3-10,12-15H,11H2,1-2H3
InChIKeyJOYLMBIYKOHSAD-UHFFFAOYSA-N
MW4663.73 g/mol
LogP50.98
Rot. Bonds62

About 1-(3-cyclohexyloxyphenyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-cyclohexyloxyphenyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-cyclohexyloxy-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(1-fluoroethoxy)phenyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone

1-(3-cyclohexyloxyphenyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-cyclohexyloxyphenyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-cyclohexyloxy-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(1-fluoroethoxy)phenyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone (PubChem CID 158980630) has the molecular formula C285H287FN46O18 and a molecular weight of 4663.73 g/mol. Its IUPAC name is 1-(3-cyclohexyloxyphenyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-cyclohexyloxyphenyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-cyclohexyloxy-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(1-fluoroethoxy)phenyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(3-cyclohexyloxyphenyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-cyclohexyloxyphenyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-cyclohexyloxy-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(1-fluoroethoxy)phenyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone
PubChem CID158980630
Molecular FormulaC285H287FN46O18
Molecular Weight4663.73 g/mol
Exact Mass4660.29
IUPAC Name1-(3-cyclohexyloxyphenyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-cyclohexyloxyphenyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-cyclohexyloxy-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(1-fluoroethoxy)phenyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone
SMILESCC(F)Oc1ccc(C(=O)Cc2cc3cc(-c4cncn4C)ccc3cn2)cc1.CN1CCC(Oc2cc(C(=O)Cc3cc4cc(-c5cncn5C)ccc4cn3)ccn2)CC1.CN1CCC(Oc2ccc(C(=O)Cc3cc4cc(-c5cncn5C)ccc4cn3)cc2)CC1.CN1CCC(Oc2cccc(C(=O)Cc3cc4cc(-c5cncn5C)ccc4cn3)c2)CC1.CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cncn5C)ccc4cn3)ccn2)CC1.CN1CCN(c2cccc(C(=O)Cc3cc4cc(-c5cncn5C)ccc4cn3)c2)CC1.Cn1cncc1-c1ccc2cnc(CC(=O)c3ccc(OC4CCCCC4)cc3)cc2c1.Cn1cncc1-c1ccc2cnc(CC(=O)c3cccc(N4CCCCC4)c3)cc2c1.Cn1cncc1-c1ccc2cnc(CC(=O)c3cccc(OC4CCCCC4)c3)cc2c1.Cn1cncc1-c1ccc2cnc(CC(=O)c3ccnc(N4CCCCC4)c3)cc2c1.Cn1cncc1-c1ccc2cnc(CC(=O)c3ccnc(OC4CCCCC4)c3)cc2c1
InChIInChI=1S/2C27H28N4O2.2C27H27N3O2.C26H27N5O2.C26H27N5O.C26H26N4O2.C26H26N4O.C25H26N6O.C25H25N5O.C23H20FN3O2/c1-30-11-9-25(10-12-30)33-24-7-5-19(6-8-24)27(32)15-23-14-22-13-20(3-4-21(22)16-29-23)26-17-28-18-31(26)2;1-30-10-8-24(9-11-30)33-25-5-3-4-20(14-25)27(32)15-23-13-22-12-19(6-7-21(22)16-29-23)26-17-28-18-31(26)2;1-30-18-28-17-26(30)19-10-11-21-16-29-23(13-22(21)12-19)15-27(31)20-6-5-9-25(14-20)32-24-7-3-2-4-8-24;1-30-18-28-17-26(30)20-7-8-21-16-29-23(14-22(21)13-20)15-27(31)19-9-11-25(12-10-19)32-24-5-3-2-4-6-24;1-30-9-6-23(7-10-30)33-26-13-19(5-8-28-26)25(32)14-22-12-21-11-18(3-4-20(21)15-29-22)24-16-27-17-31(24)2;1-29-8-10-31(11-9-29)24-5-3-4-20(14-24)26(32)15-23-13-22-12-19(6-7-21(22)16-28-23)25-17-27-18-30(25)2;1-30-17-27-16-24(30)18-7-8-20-15-29-22(12-21(20)11-18)14-25(31)19-9-10-28-26(13-19)32-23-5-3-2-4-6-23;1-29-18-27-17-25(29)19-8-9-21-16-28-23(13-22(21)12-19)15-26(31)20-6-5-7-24(14-20)30-10-3-2-4-11-30;1-29-7-9-31(10-8-29)25-13-19(5-6-27-25)24(32)14-22-12-21-11-18(3-4-20(21)15-28-22)23-16-26-17-30(23)2;1-29-17-26-16-23(29)18-5-6-20-15-28-22(12-21(20)11-18)14-24(31)19-7-8-27-25(13-19)30-9-3-2-4-10-30;1-15(24)29-21-7-5-16(6-8-21)23(28)11-20-10-19-9-17(3-4-18(19)12-26-20)22-13-25-14-27(22)2/h3-8,13-14,16-18,25H,9-12,15H2,1-2H3;3-7,12-14,16-18,24H,8-11,15H2,1-2H3;5-6,9-14,16-18,24H,2-4,7-8,15H2,1H3;7-14,16-18,24H,2-6,15H2,1H3;3-5,8,11-13,15-17,23H,6-7,9-10,14H2,1-2H3;3-7,12-14,16-18H,8-11,15H2,1-2H3;7-13,15-17,23H,2-6,14H2,1H3;5-9,12-14,16-18H,2-4,10-11,15H2,1H3;3-6,11-13,15-17H,7-10,14H2,1-2H3;5-8,11-13,15-17H,2-4,9-10,14H2,1H3;3-10,12-15H,11H2,1-2H3
InChIKeyJOYLMBIYKOHSAD-UHFFFAOYSA-N
XLogP50.98
TPSA670.91 Ų
H-Bond Donors
H-Bond Acceptors64
Rotatable Bonds62
Heavy Atoms350
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004663.73
LogP ≤ 550.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1064

Analyze 1-(3-cyclohexyloxyphenyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-cyclohexyloxyphenyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-cyclohexyloxy-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(1-fluoroethoxy)phenyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexyloxyphenyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-cyclohexyloxyphenyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-cyclohexyloxy-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(1-fluoroethoxy)phenyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone?
The IUPAC name of 1-(3-cyclohexyloxyphenyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-cyclohexyloxyphenyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-cyclohexyloxy-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(1-fluoroethoxy)phenyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone (CID 158980630) is 1-(3-cyclohexyloxyphenyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-cyclohexyloxyphenyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-cyclohexyloxy-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(1-fluoroethoxy)phenyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone.
What is the SMILES notation for 1-(3-cyclohexyloxyphenyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-cyclohexyloxyphenyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-cyclohexyloxy-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(1-fluoroethoxy)phenyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone?
The canonical SMILES for 1-(3-cyclohexyloxyphenyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-cyclohexyloxyphenyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-cyclohexyloxy-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(1-fluoroethoxy)phenyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone is CC(F)Oc1ccc(C(=O)Cc2cc3cc(-c4cncn4C)ccc3cn2)cc1.CN1CCC(Oc2cc(C(=O)Cc3cc4cc(-c5cncn5C)ccc4cn3)ccn2)CC1.CN1CCC(Oc2ccc(C(=O)Cc3cc4cc(-c5cncn5C)ccc4cn3)cc2)CC1.CN1CCC(Oc2cccc(C(=O)Cc3cc4cc(-c5cncn5C)ccc4cn3)c2)CC1.CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cncn5C)ccc4cn3)ccn2)CC1.CN1CCN(c2cccc(C(=O)Cc3cc4cc(-c5cncn5C)ccc4cn3)c2)CC1.Cn1cncc1-c1ccc2cnc(CC(=O)c3ccc(OC4CCCCC4)cc3)cc2c1.Cn1cncc1-c1ccc2cnc(CC(=O)c3cccc(N4CCCCC4)c3)cc2c1.Cn1cncc1-c1ccc2cnc(CC(=O)c3cccc(OC4CCCCC4)c3)cc2c1.Cn1cncc1-c1ccc2cnc(CC(=O)c3ccnc(N4CCCCC4)c3)cc2c1.Cn1cncc1-c1ccc2cnc(CC(=O)c3ccnc(OC4CCCCC4)c3)cc2c1.
What is the InChIKey of 1-(3-cyclohexyloxyphenyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-cyclohexyloxyphenyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-cyclohexyloxy-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(1-fluoroethoxy)phenyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone?
The InChIKey is JOYLMBIYKOHSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H28N4O2.2C27H27N3O2.C26H27N5O2.C26H27N5O.C26H26N4O2.C26H26N4O.C25H26N6O.C25H25N5O.C23H20FN3O2/c1-30-11-9-25(10-12-30)33-24-7-5-19(6-8-24)27(32)15-23-14-22-13-20(3-4-21(22)16-29-23)26-17-28-18-31(26)2;1-30-10-8-24(9-11-30)33-25-5-3-4-20(14-25)27(32)15-23-13-22-12-19(6-7-21(22)16-29-23)26-17-28-18-31(26)2;1-30-18-28-17-26(30)19-10-11-21-16-29-23(13-22(21)12-19)15-27(31)20-6-5-9-25(14-20)32-24-7-3-2-4-8-24;1-30-18-28-17-26(30)20-7-8-21-16-29-23(14-22(21)13-20)15-27(31)19-9-11-25(12-10-19)32-24-5-3-2-4-6-24;1-30-9-6-23(7-10-30)33-26-13-19(5-8-28-26)25(32)14-22-12-21-11-18(3-4-20(21)15-29-22)24-16-27-17-31(24)2;1-29-8-10-31(11-9-29)24-5-3-4-20(14-24)26(32)15-23-13-22-12-19(6-7-21(22)16-28-23)25-17-27-18-30(25)2;1-30-17-27-16-24(30)18-7-8-20-15-29-22(12-21(20)11-18)14-25(31)19-9-10-28-26(13-19)32-23-5-3-2-4-6-23;1-29-18-27-17-25(29)19-8-9-21-16-28-23(13-22(21)12-19)15-26(31)20-6-5-7-24(14-20)30-10-3-2-4-11-30;1-29-7-9-31(10-8-29)25-13-19(5-6-27-25)24(32)14-22-12-21-11-18(3-4-20(21)15-28-22)23-16-26-17-30(23)2;1-29-17-26-16-23(29)18-5-6-20-15-28-22(12-21(20)11-18)14-24(31)19-7-8-27-25(13-19)30-9-3-2-4-10-30;1-15(24)29-21-7-5-16(6-8-21)23(28)11-20-10-19-9-17(3-4-18(19)12-26-20)22-13-25-14-27(22)2/h3-8,13-14,16-18,25H,9-12,15H2,1-2H3;3-7,12-14,16-18,24H,8-11,15H2,1-2H3;5-6,9-14,16-18,24H,2-4,7-8,15H2,1H3;7-14,16-18,24H,2-6,15H2,1H3;3-5,8,11-13,15-17,23H,6-7,9-10,14H2,1-2H3;3-7,12-14,16-18H,8-11,15H2,1-2H3;7-13,15-17,23H,2-6,14H2,1H3;5-9,12-14,16-18H,2-4,10-11,15H2,1H3;3-6,11-13,15-17H,7-10,14H2,1-2H3;5-8,11-13,15-17H,2-4,9-10,14H2,1H3;3-10,12-15H,11H2,1-2H3.
What are the key properties of 1-(3-cyclohexyloxyphenyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-cyclohexyloxyphenyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-cyclohexyloxy-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(1-fluoroethoxy)phenyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone?
1-(3-cyclohexyloxyphenyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-cyclohexyloxyphenyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-cyclohexyloxy-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(1-fluoroethoxy)phenyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone has a molecular weight of 4663.73 g/mol, XLogP of 50.98, 62 rotatable bonds, 0 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexyloxyphenyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-cyclohexyloxyphenyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-cyclohexyloxy-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(1-fluoroethoxy)phenyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone is sourced from PubChem (CID 158980630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).