1-(3-cyclohexyloxyphenyl)-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-cyclohexyloxyphenyl)-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-phenylmethoxyphenyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-yloxyphenyl)ethanone

C246H252N34O15 — CID 157140300

IUPAC1-(3-cyclohexyloxyphenyl)-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-cyclohexyloxyphenyl)-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-phenylmethoxyphenyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-yloxyphenyl)ethanone
SMILESCc1ncc(-c2ccc3cnc(CC(=O)c4ccc(OC(C)C)cc4)cc3c2)n1C.Cc1ncc(-c2ccc3cnc(CC(=O)c4ccc(OC5CCCCC5)cc4)cc3c2)n1C.Cc1ncc(-c2ccc3cnc(CC(=O)c4ccc(OC5CCN(C)CC5)cc4)cc3c2)n1C.Cc1ncc(-c2ccc3cnc(CC(=O)c4ccc(OCc5ccccc5)cc4)cc3c2)n1C.Cc1ncc(-c2ccc3cnc(CC(=O)c4cccc(N5CCCCC5)c4)cc3c2)n1C.Cc1ncc(-c2ccc3cnc(CC(=O)c4cccc(N5CCN(C)CC5)c4)cc3c2)n1C.Cc1ncc(-c2ccc3cnc(CC(=O)c4cccc(OC5CCCCC5)c4)cc3c2)n1C.Cc1ncc(-c2ccc3cnc(CC(=O)c4cccc(OC5CCN(C)CC5)c4)cc3c2)n1C.Cc1ncc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCCCC5)c4)cc3c2)n1C
InChIInChI=1S/C29H25N3O2.2C28H30N4O2.2C28H29N3O2.C27H29N5O.C27H28N4O.C26H27N5O.C25H25N3O2/c1-20-30-18-28(32(20)2)23-8-9-24-17-31-26(15-25(24)14-23)16-29(33)22-10-12-27(13-11-22)34-19-21-6-4-3-5-7-21;1-19-29-18-27(32(19)3)21-4-5-22-17-30-24(15-23(22)14-21)16-28(33)20-6-8-25(9-7-20)34-26-10-12-31(2)13-11-26;1-19-29-18-27(32(19)3)20-7-8-22-17-30-24(14-23(22)13-20)16-28(33)21-5-4-6-26(15-21)34-25-9-11-31(2)12-10-25;1-19-29-18-27(31(19)2)20-11-12-22-17-30-24(14-23(22)13-20)16-28(32)21-7-6-10-26(15-21)33-25-8-4-3-5-9-25;1-19-29-18-27(31(19)2)21-8-9-22-17-30-24(15-23(22)14-21)16-28(32)20-10-12-26(13-11-20)33-25-6-4-3-5-7-25;1-19-28-18-26(31(19)3)20-7-8-22-17-29-24(14-23(22)13-20)16-27(33)21-5-4-6-25(15-21)32-11-9-30(2)10-12-32;1-19-28-18-26(30(19)2)20-9-10-22-17-29-24(14-23(22)13-20)16-27(32)21-7-6-8-25(15-21)31-11-4-3-5-12-31;1-18-28-17-24(30(18)2)19-6-7-21-16-29-23(13-22(21)12-19)15-25(32)20-8-9-27-26(14-20)31-10-4-3-5-11-31;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/h3-15,17-18H,16,19H2,1-2H3;4-9,14-15,17-18,26H,10-13,16H2,1-3H3;4-8,13-15,17-18,25H,9-12,16H2,1-3H3;6-7,10-15,17-18,25H,3-5,8-9,16H2,1-2H3;8-15,17-18,25H,3-7,16H2,1-2H3;4-8,13-15,17-18H,9-12,16H2,1-3H3;6-10,13-15,17-18H,3-5,11-12,16H2,1-2H3;6-9,12-14,16-17H,3-5,10-11,15H2,1-2H3;5-12,14-16H,13H2,1-4H3
InChIKeyAKCPFLUEYRHSRC-UHFFFAOYSA-N
MW3924.94 g/mol
LogP47.18
Rot. Bonds52

About 1-(3-cyclohexyloxyphenyl)-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-cyclohexyloxyphenyl)-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-phenylmethoxyphenyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-yloxyphenyl)ethanone

1-(3-cyclohexyloxyphenyl)-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-cyclohexyloxyphenyl)-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-phenylmethoxyphenyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-yloxyphenyl)ethanone (PubChem CID 157140300) has the molecular formula C246H252N34O15 and a molecular weight of 3924.94 g/mol. Its IUPAC name is 1-(3-cyclohexyloxyphenyl)-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-cyclohexyloxyphenyl)-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-phenylmethoxyphenyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-yloxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-cyclohexyloxyphenyl)-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-cyclohexyloxyphenyl)-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-phenylmethoxyphenyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-yloxyphenyl)ethanone
PubChem CID157140300
Molecular FormulaC246H252N34O15
Molecular Weight3924.94 g/mol
Exact Mass3922.00
IUPAC Name1-(3-cyclohexyloxyphenyl)-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-cyclohexyloxyphenyl)-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-phenylmethoxyphenyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-yloxyphenyl)ethanone
SMILESCc1ncc(-c2ccc3cnc(CC(=O)c4ccc(OC(C)C)cc4)cc3c2)n1C.Cc1ncc(-c2ccc3cnc(CC(=O)c4ccc(OC5CCCCC5)cc4)cc3c2)n1C.Cc1ncc(-c2ccc3cnc(CC(=O)c4ccc(OC5CCN(C)CC5)cc4)cc3c2)n1C.Cc1ncc(-c2ccc3cnc(CC(=O)c4ccc(OCc5ccccc5)cc4)cc3c2)n1C.Cc1ncc(-c2ccc3cnc(CC(=O)c4cccc(N5CCCCC5)c4)cc3c2)n1C.Cc1ncc(-c2ccc3cnc(CC(=O)c4cccc(N5CCN(C)CC5)c4)cc3c2)n1C.Cc1ncc(-c2ccc3cnc(CC(=O)c4cccc(OC5CCCCC5)c4)cc3c2)n1C.Cc1ncc(-c2ccc3cnc(CC(=O)c4cccc(OC5CCN(C)CC5)c4)cc3c2)n1C.Cc1ncc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCCCC5)c4)cc3c2)n1C
InChIInChI=1S/C29H25N3O2.2C28H30N4O2.2C28H29N3O2.C27H29N5O.C27H28N4O.C26H27N5O.C25H25N3O2/c1-20-30-18-28(32(20)2)23-8-9-24-17-31-26(15-25(24)14-23)16-29(33)22-10-12-27(13-11-22)34-19-21-6-4-3-5-7-21;1-19-29-18-27(32(19)3)21-4-5-22-17-30-24(15-23(22)14-21)16-28(33)20-6-8-25(9-7-20)34-26-10-12-31(2)13-11-26;1-19-29-18-27(32(19)3)20-7-8-22-17-30-24(14-23(22)13-20)16-28(33)21-5-4-6-26(15-21)34-25-9-11-31(2)12-10-25;1-19-29-18-27(31(19)2)20-11-12-22-17-30-24(14-23(22)13-20)16-28(32)21-7-6-10-26(15-21)33-25-8-4-3-5-9-25;1-19-29-18-27(31(19)2)21-8-9-22-17-30-24(15-23(22)14-21)16-28(32)20-10-12-26(13-11-20)33-25-6-4-3-5-7-25;1-19-28-18-26(31(19)3)20-7-8-22-17-29-24(14-23(22)13-20)16-27(33)21-5-4-6-25(15-21)32-11-9-30(2)10-12-32;1-19-28-18-26(30(19)2)20-9-10-22-17-29-24(14-23(22)13-20)16-27(32)21-7-6-8-25(15-21)31-11-4-3-5-12-31;1-18-28-17-24(30(18)2)19-6-7-21-16-29-23(13-22(21)12-19)15-25(32)20-8-9-27-26(14-20)31-10-4-3-5-11-31;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/h3-15,17-18H,16,19H2,1-2H3;4-9,14-15,17-18,26H,10-13,16H2,1-3H3;4-8,13-15,17-18,25H,9-12,16H2,1-3H3;6-7,10-15,17-18,25H,3-5,8-9,16H2,1-2H3;8-15,17-18,25H,3-7,16H2,1-2H3;4-8,13-15,17-18H,9-12,16H2,1-3H3;6-10,13-15,17-18H,3-5,11-12,16H2,1-2H3;6-9,12-14,16-17H,3-5,10-11,15H2,1-2H3;5-12,14-16H,13H2,1-4H3
InChIKeyAKCPFLUEYRHSRC-UHFFFAOYSA-N
XLogP47.18
TPSA517.73 Ų
H-Bond Donors
H-Bond Acceptors49
Rotatable Bonds52
Heavy Atoms295
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003924.94
LogP ≤ 547.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1049

Analyze 1-(3-cyclohexyloxyphenyl)-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-cyclohexyloxyphenyl)-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-phenylmethoxyphenyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-yloxyphenyl)ethanone with MolForge

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Related Compounds

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CID 157463071
1,6-Bis(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran;1,6-bis[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran;2-[10-[6-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]dibenzofuran-1-yl]anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;3-[3-[10-[6-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]dibenzofuran-1-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine;3-[10-[6-(10-pyridin-3-ylanthracen-9-yl)dibenzofuran-1-yl]anthracen-9-yl]pyridine;7-[10-[6-(10-quinolin-7-ylanthracen-9-yl)dibenzofuran-1-yl]anthracen-9-yl]quinoline
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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
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CID 58099830
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CID 58501572
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
12-[6-(1-Benzofuran-6-yl)-2-pyridinyl]-11-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]pyrimidin-4-yl]indolo[2,3-a]carbazole
CID 117862792
9-(9-Ethyl-18-phenyl-18-aza-17-azoniapentacyclo[13.2.1.02,7.09,17.011,16]octadeca-1(17),2,4,6,11(16),12,14-heptaen-8-ylidene)-5,6-dimethyl-20-oxa-8-azoniapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 123581510
9-[4-[13-[3-(12-Oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaen-5-yl]phenyl]-6-[3-(9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-13-yl)phenyl]carbazole-2-carbonitrile
CID 129107597
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

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexyloxyphenyl)-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-cyclohexyloxyphenyl)-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-phenylmethoxyphenyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-yloxyphenyl)ethanone?
The IUPAC name of 1-(3-cyclohexyloxyphenyl)-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-cyclohexyloxyphenyl)-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-phenylmethoxyphenyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-yloxyphenyl)ethanone (CID 157140300) is 1-(3-cyclohexyloxyphenyl)-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-cyclohexyloxyphenyl)-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-phenylmethoxyphenyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-yloxyphenyl)ethanone.
What is the SMILES notation for 1-(3-cyclohexyloxyphenyl)-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-cyclohexyloxyphenyl)-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-phenylmethoxyphenyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-yloxyphenyl)ethanone?
The canonical SMILES for 1-(3-cyclohexyloxyphenyl)-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-cyclohexyloxyphenyl)-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-phenylmethoxyphenyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-yloxyphenyl)ethanone is Cc1ncc(-c2ccc3cnc(CC(=O)c4ccc(OC(C)C)cc4)cc3c2)n1C.Cc1ncc(-c2ccc3cnc(CC(=O)c4ccc(OC5CCCCC5)cc4)cc3c2)n1C.Cc1ncc(-c2ccc3cnc(CC(=O)c4ccc(OC5CCN(C)CC5)cc4)cc3c2)n1C.Cc1ncc(-c2ccc3cnc(CC(=O)c4ccc(OCc5ccccc5)cc4)cc3c2)n1C.Cc1ncc(-c2ccc3cnc(CC(=O)c4cccc(N5CCCCC5)c4)cc3c2)n1C.Cc1ncc(-c2ccc3cnc(CC(=O)c4cccc(N5CCN(C)CC5)c4)cc3c2)n1C.Cc1ncc(-c2ccc3cnc(CC(=O)c4cccc(OC5CCCCC5)c4)cc3c2)n1C.Cc1ncc(-c2ccc3cnc(CC(=O)c4cccc(OC5CCN(C)CC5)c4)cc3c2)n1C.Cc1ncc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCCCC5)c4)cc3c2)n1C.
What is the InChIKey of 1-(3-cyclohexyloxyphenyl)-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-cyclohexyloxyphenyl)-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-phenylmethoxyphenyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-yloxyphenyl)ethanone?
The InChIKey is AKCPFLUEYRHSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O2.2C28H30N4O2.2C28H29N3O2.C27H29N5O.C27H28N4O.C26H27N5O.C25H25N3O2/c1-20-30-18-28(32(20)2)23-8-9-24-17-31-26(15-25(24)14-23)16-29(33)22-10-12-27(13-11-22)34-19-21-6-4-3-5-7-21;1-19-29-18-27(32(19)3)21-4-5-22-17-30-24(15-23(22)14-21)16-28(33)20-6-8-25(9-7-20)34-26-10-12-31(2)13-11-26;1-19-29-18-27(32(19)3)20-7-8-22-17-30-24(14-23(22)13-20)16-28(33)21-5-4-6-26(15-21)34-25-9-11-31(2)12-10-25;1-19-29-18-27(31(19)2)20-11-12-22-17-30-24(14-23(22)13-20)16-28(32)21-7-6-10-26(15-21)33-25-8-4-3-5-9-25;1-19-29-18-27(31(19)2)21-8-9-22-17-30-24(15-23(22)14-21)16-28(32)20-10-12-26(13-11-20)33-25-6-4-3-5-7-25;1-19-28-18-26(31(19)3)20-7-8-22-17-29-24(14-23(22)13-20)16-27(33)21-5-4-6-25(15-21)32-11-9-30(2)10-12-32;1-19-28-18-26(30(19)2)20-9-10-22-17-29-24(14-23(22)13-20)16-27(32)21-7-6-8-25(15-21)31-11-4-3-5-12-31;1-18-28-17-24(30(18)2)19-6-7-21-16-29-23(13-22(21)12-19)15-25(32)20-8-9-27-26(14-20)31-10-4-3-5-11-31;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/h3-15,17-18H,16,19H2,1-2H3;4-9,14-15,17-18,26H,10-13,16H2,1-3H3;4-8,13-15,17-18,25H,9-12,16H2,1-3H3;6-7,10-15,17-18,25H,3-5,8-9,16H2,1-2H3;8-15,17-18,25H,3-7,16H2,1-2H3;4-8,13-15,17-18H,9-12,16H2,1-3H3;6-10,13-15,17-18H,3-5,11-12,16H2,1-2H3;6-9,12-14,16-17H,3-5,10-11,15H2,1-2H3;5-12,14-16H,13H2,1-4H3.
What are the key properties of 1-(3-cyclohexyloxyphenyl)-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-cyclohexyloxyphenyl)-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-phenylmethoxyphenyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-yloxyphenyl)ethanone?
1-(3-cyclohexyloxyphenyl)-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-cyclohexyloxyphenyl)-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-phenylmethoxyphenyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-yloxyphenyl)ethanone has a molecular weight of 3924.94 g/mol, XLogP of 47.18, 52 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexyloxyphenyl)-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-cyclohexyloxyphenyl)-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-phenylmethoxyphenyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-yloxyphenyl)ethanone is sourced from PubChem (CID 157140300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).