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;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-yloxyphenyl)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-(2-piperidin-1-yl-4-pyridinyl)ethanone

C235H239N37O16 — CID 157165426

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;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-yloxyphenyl)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-(2-piperidin-1-yl-4-pyridinyl)ethanone
SMILESCN1CCC(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.Cc1ncc(-c2ccc3cnc(CC(=O)c4ccc(OC(C)C)cc4)cc3c2)n1C.Cn1cncc1-c1ccc2cnc(CC(=O)c3ccc(OC4CCCCC4)cc3)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.C26H26N4O2.C25H26N6O.C25H25N5O.C25H25N3O2/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;1-30-17-27-16-24(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;1-29-7-9-31(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;1-16(2)30-23-9-7-18(8-10-23)25(29)13-22-12-21-11-19(5-6-20(21)14-27-22)24-15-26-17(3)28(24)4/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;7-13,15-17,23H,2-6,14H2,1H3;3-6,11-13,15-17H,7-10,14H2,1-2H3;5-8,11-13,15-17H,2-4,9-10,14H2,1H3;5-12,14-16H,13H2,1-4H3
InChIKeyAMVWRFSAJQHNRX-UHFFFAOYSA-N
MW3837.74 g/mol
LogP42.52
Rot. Bonds52

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;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-yloxyphenyl)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-(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;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-yloxyphenyl)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-(2-piperidin-1-yl-4-pyridinyl)ethanone (PubChem CID 157165426) has the molecular formula C235H239N37O16 and a molecular weight of 3837.74 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;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-yloxyphenyl)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-(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;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-yloxyphenyl)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-(2-piperidin-1-yl-4-pyridinyl)ethanone
PubChem CID157165426
Molecular FormulaC235H239N37O16
Molecular Weight3837.74 g/mol
Exact Mass3834.90
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;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-yloxyphenyl)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-(2-piperidin-1-yl-4-pyridinyl)ethanone
SMILESCN1CCC(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.Cc1ncc(-c2ccc3cnc(CC(=O)c4ccc(OC(C)C)cc4)cc3c2)n1C.Cn1cncc1-c1ccc2cnc(CC(=O)c3ccc(OC4CCCCC4)cc3)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.C26H26N4O2.C25H26N6O.C25H25N5O.C25H25N3O2/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;1-30-17-27-16-24(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;1-29-7-9-31(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;1-16(2)30-23-9-7-18(8-10-23)25(29)13-22-12-21-11-19(5-6-20(21)14-27-22)24-15-26-17(3)28(24)4/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;7-13,15-17,23H,2-6,14H2,1H3;3-6,11-13,15-17H,7-10,14H2,1-2H3;5-8,11-13,15-17H,2-4,9-10,14H2,1H3;5-12,14-16H,13H2,1-4H3
InChIKeyAMVWRFSAJQHNRX-UHFFFAOYSA-N
XLogP42.52
TPSA565.63 Ų
H-Bond Donors
H-Bond Acceptors53
Rotatable Bonds52
Heavy Atoms288
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003837.74
LogP ≤ 542.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1053

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;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-yloxyphenyl)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-(2-piperidin-1-yl-4-pyridinyl)ethanone with MolForge

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Related Compounds

15-dibenzofuran-2-yl-20-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;15-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10-oxa-17,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;4-(19-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-15-yl)-N,N-diphenylaniline;12-phenyl-17-oxa-9-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1,3,5,7,9,11,13,15,18,20,22,24-dodecaene;12-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-17-oxa-10-azahexacyclo[12.11.0.02,11.04,9.016,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,16(24),18,20,22-dodecaene
CID 161212579
3,5-Bis(4-tert-butylphenyl)-4-phenyl-1,2,4-triazole;2-[3,5-bis(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)phenyl]-5-tert-butyl-1,3,4-oxadiazole;2,3-bis(4-phenylphenyl)quinoxaline;2-tert-butyl-5-[3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole;2-tert-butyl-5-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propan-2-yl]phenyl]-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-1,10-phenanthroline;2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;1-[4-[3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-2-(4-methylphenyl)ethane-1,2-dione;2-(4-methylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-methylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole
CID 161229577
4-[7-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione
CID 161802421
5-[2-Methyl-3-[2-[1,3,7,9-tetramethyl-4,6-bis(1-methylimidazol-2-yl)-8-[1-(2-methyl-3-pyrido[4,3-b]indol-5-ylphenyl)imidazol-2-yl]dibenzofuran-2-yl]imidazol-1-yl]phenyl]pyrido[4,3-b]indole
CID 58501579
9-[4,6-Bis(naphtho[2,1-b][1]benzofuran-10-yl)-1,3,5-triazin-2-yl]-14-[3,5-bis(7-phenyl-1,5-naphthyridin-3-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 117862781
2-[6-[4-[2-[3,5-Bis[2-[4-[5-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-di(dibenzofuran-4-yl)-1,3,5-triazine
CID 134191457
2-[4-[4-[4-[7-[4-[4-[4-(7-Dibenzofuran-2-ylphenanthren-2-yl)phenyl]-6-phenyl-2-pyridinyl]phenyl]dibenzofuran-2-yl]phenyl]-6-phenyl-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine
CID 137465830
2-[6-(3-Methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]ethanone
CID 147314430
2-[6-(2,3-Dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone
CID 148202538
2-[6-(2,3-Dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone
CID 148814042
2-[6-(2,3-Dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]ethanone
CID 152863269
1-[2-(1-Propan-2-ylpiperidin-4-yl)oxy-4-pyridinyl]-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)isoquinolin-3-yl]ethanone
CID 153185408

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;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-yloxyphenyl)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-(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;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-yloxyphenyl)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-(2-piperidin-1-yl-4-pyridinyl)ethanone (CID 157165426) 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;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-yloxyphenyl)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-(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;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-yloxyphenyl)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-(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;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-yloxyphenyl)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-(2-piperidin-1-yl-4-pyridinyl)ethanone is 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.Cc1ncc(-c2ccc3cnc(CC(=O)c4ccc(OC(C)C)cc4)cc3c2)n1C.Cn1cncc1-c1ccc2cnc(CC(=O)c3ccc(OC4CCCCC4)cc3)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;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-yloxyphenyl)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-(2-piperidin-1-yl-4-pyridinyl)ethanone?
The InChIKey is AMVWRFSAJQHNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H28N4O2.2C27H27N3O2.C26H27N5O2.C26H26N4O2.C25H26N6O.C25H25N5O.C25H25N3O2/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;1-30-17-27-16-24(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;1-29-7-9-31(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;1-16(2)30-23-9-7-18(8-10-23)25(29)13-22-12-21-11-19(5-6-20(21)14-27-22)24-15-26-17(3)28(24)4/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;7-13,15-17,23H,2-6,14H2,1H3;3-6,11-13,15-17H,7-10,14H2,1-2H3;5-8,11-13,15-17H,2-4,9-10,14H2,1H3;5-12,14-16H,13H2,1-4H3.
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;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-yloxyphenyl)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-(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;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-yloxyphenyl)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-(2-piperidin-1-yl-4-pyridinyl)ethanone has a molecular weight of 3837.74 g/mol, XLogP of 42.52, 52 rotatable bonds, 0 hydrogen bond donors, and 53 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;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-yloxyphenyl)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-(2-piperidin-1-yl-4-pyridinyl)ethanone is sourced from PubChem (CID 157165426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).