1-[3-(1-benzofuran-6-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(5-methyl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;ethyl 2-[2-[2-hydroxy-3-[3-(1-methylindol-6-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate;1-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol

C200H209N15O20 — CID 157083793

IUPAC1-[3-(1-benzofuran-6-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(5-methyl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;ethyl 2-[2-[2-hydroxy-3-[3-(1-methylindol-6-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate;1-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol
SMILESCC1C=Nc2nc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)ncc21.CCOC(=O)CC1c2ccccc2CCN1CC(O)COc1cccc(-c2ccc3ccn(C)c3c2)c1.COc1cc2c(cc1OC)CN(CC(O)COc1cccc(-c3ccc4ccn(C)c4c3)c1)CC2.COc1cccc2c1CCN(CC(O)COc1cccc(-c3ccc4ccn(C)c4c3)c1)C2.Cn1ccc2ccc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)cc21.Cn1ccc2ccc(-c3cccc(OCC(O)CN4CCc5ccccc5C4Cc4ccccc4)c3)cc21.OC(COc1cccc(-c2ccc3ccoc3c2)c1)CN1CCc2ccccc2C1
InChIInChI=1S/C34H34N2O2.C31H34N2O4.C29H32N2O4.C28H30N2O3.C27H28N2O2.C26H25NO3.C25H26N4O2/c1-35-18-16-27-14-15-29(22-33(27)35)28-11-7-12-31(21-28)38-24-30(37)23-36-19-17-26-10-5-6-13-32(26)34(36)20-25-8-3-2-4-9-25;1-3-36-31(35)19-30-28-10-5-4-7-22(28)14-16-33(30)20-26(34)21-37-27-9-6-8-24(17-27)25-12-11-23-13-15-32(2)29(23)18-25;1-30-11-9-20-7-8-22(14-27(20)30)21-5-4-6-26(13-21)35-19-25(32)18-31-12-10-23-15-28(33-2)29(34-3)16-24(23)17-31;1-29-13-11-20-9-10-22(16-27(20)29)21-5-3-7-25(15-21)33-19-24(31)18-30-14-12-26-23(17-30)6-4-8-28(26)32-2;1-28-13-11-21-9-10-23(16-27(21)28)22-7-4-8-26(15-22)31-19-25(30)18-29-14-12-20-5-2-3-6-24(20)17-29;28-24(17-27-12-10-19-4-1-2-5-23(19)16-27)18-30-25-7-3-6-21(14-25)22-9-8-20-11-13-29-26(20)15-22;1-17-12-26-25-23(17)13-27-24(28-25)19-7-4-8-22(11-19)31-16-21(30)15-29-10-9-18-5-2-3-6-20(18)14-29/h2-16,18,21-22,30,34,37H,17,19-20,23-24H2,1H3;4-13,15,17-18,26,30,34H,3,14,16,19-21H2,1-2H3;4-9,11,13-16,25,32H,10,12,17-19H2,1-3H3;3-11,13,15-16,24,31H,12,14,17-19H2,1-2H3;2-11,13,15-16,25,30H,12,14,17-19H2,1H3;1-9,11,13-15,24,28H,10,12,16-18H2;2-8,11-13,17,21,30H,9-10,14-16H2,1H3
InChIKeyADVXVPFNXJPGBK-UHFFFAOYSA-N
MW3142.96 g/mol
LogP34.18
Rot. Bonds50

About 1-[3-(1-benzofuran-6-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(5-methyl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;ethyl 2-[2-[2-hydroxy-3-[3-(1-methylindol-6-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate;1-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol

1-[3-(1-benzofuran-6-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(5-methyl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;ethyl 2-[2-[2-hydroxy-3-[3-(1-methylindol-6-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate;1-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol (PubChem CID 157083793) has the molecular formula C200H209N15O20 and a molecular weight of 3142.96 g/mol. Its IUPAC name is 1-[3-(1-benzofuran-6-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(5-methyl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;ethyl 2-[2-[2-hydroxy-3-[3-(1-methylindol-6-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate;1-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[3-(1-benzofuran-6-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(5-methyl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;ethyl 2-[2-[2-hydroxy-3-[3-(1-methylindol-6-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate;1-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol
PubChem CID157083793
Molecular FormulaC200H209N15O20
Molecular Weight3142.96 g/mol
Exact Mass3140.58
IUPAC Name1-[3-(1-benzofuran-6-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(5-methyl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;ethyl 2-[2-[2-hydroxy-3-[3-(1-methylindol-6-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate;1-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol
SMILESCC1C=Nc2nc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)ncc21.CCOC(=O)CC1c2ccccc2CCN1CC(O)COc1cccc(-c2ccc3ccn(C)c3c2)c1.COc1cc2c(cc1OC)CN(CC(O)COc1cccc(-c3ccc4ccn(C)c4c3)c1)CC2.COc1cccc2c1CCN(CC(O)COc1cccc(-c3ccc4ccn(C)c4c3)c1)C2.Cn1ccc2ccc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)cc21.Cn1ccc2ccc(-c3cccc(OCC(O)CN4CCc5ccccc5C4Cc4ccccc4)c3)cc21.OC(COc1cccc(-c2ccc3ccoc3c2)c1)CN1CCc2ccccc2C1
InChIInChI=1S/C34H34N2O2.C31H34N2O4.C29H32N2O4.C28H30N2O3.C27H28N2O2.C26H25NO3.C25H26N4O2/c1-35-18-16-27-14-15-29(22-33(27)35)28-11-7-12-31(21-28)38-24-30(37)23-36-19-17-26-10-5-6-13-32(26)34(36)20-25-8-3-2-4-9-25;1-3-36-31(35)19-30-28-10-5-4-7-22(28)14-16-33(30)20-26(34)21-37-27-9-6-8-24(17-27)25-12-11-23-13-15-32(2)29(23)18-25;1-30-11-9-20-7-8-22(14-27(20)30)21-5-4-6-26(13-21)35-19-25(32)18-31-12-10-23-15-28(33-2)29(34-3)16-24(23)17-31;1-29-13-11-20-9-10-22(16-27(20)29)21-5-3-7-25(15-21)33-19-24(31)18-30-14-12-26-23(17-30)6-4-8-28(26)32-2;1-28-13-11-21-9-10-23(16-27(21)28)22-7-4-8-26(15-22)31-19-25(30)18-29-14-12-20-5-2-3-6-24(20)17-29;28-24(17-27-12-10-19-4-1-2-5-23(19)16-27)18-30-25-7-3-6-21(14-25)22-9-8-20-11-13-29-26(20)15-22;1-17-12-26-25-23(17)13-27-24(28-25)19-7-4-8-22(11-19)31-16-21(30)15-29-10-9-18-5-2-3-6-20(18)14-29/h2-16,18,21-22,30,34,37H,17,19-20,23-24H2,1H3;4-13,15,17-18,26,30,34H,3,14,16,19-21H2,1-2H3;4-9,11,13-16,25,32H,10,12,17-19H2,1-3H3;3-11,13,15-16,24,31H,12,14,17-19H2,1-2H3;2-11,13,15-16,25,30H,12,14,17-19H2,1H3;1-9,11,13-15,24,28H,10,12,16-18H2;2-8,11-13,17,21,30H,9-10,14-16H2,1H3
InChIKeyADVXVPFNXJPGBK-UHFFFAOYSA-N
XLogP34.18
TPSA358.82 Ų
H-Bond Donors7
H-Bond Acceptors35
Rotatable Bonds50
Heavy Atoms235
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003142.96
LogP ≤ 534.18
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1035

Analyze 1-[3-(1-benzofuran-6-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(5-methyl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;ethyl 2-[2-[2-hydroxy-3-[3-(1-methylindol-6-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate;1-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol with MolForge

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Related Compounds

14-Phenyl-11-pyridin-3-yl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-pyridin-4-yl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-pyrimidin-2-yl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-pyrimidin-4-yl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-pyrimidin-5-yl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 157052010
CID 157143433
CID 157143433
5-(2-Dibenzofuran-3-ylpyrido[2,3-b]pyrazin-3-yl)benzo[b]carbazole;5-(4,6-diphenylquinazolin-2-yl)benzo[b]carbazole;5-(4-naphthalen-2-yl-6-phenylquinazolin-2-yl)benzo[b]carbazole;5-[2-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]pyrido[2,3-b]pyrazin-3-yl]benzo[b]carbazole
CID 157168921
3-[9-[4-(1-Benzofuran-6-yl)pyrimidin-2-yl]carbazol-4-yl]-9-phenylcarbazole;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)pyrimidine;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylpyrimidin-2-yl)phenyl]carbazole
CID 157182182
22-(4-Dibenzofuran-4-ylbenzo[h]quinazolin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-[4-(9-phenylcarbazol-3-yl)benzo[h]quinazolin-2-yl]-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-(4-pyridin-3-ylbenzo[h]quinazolin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene
CID 157216548
1-[4,6-Di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-3-phenylbenzo[e]indole;1-[3-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]phenyl]-3-phenylbenzo[e]indole;1-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-3-phenylbenzo[e]indole;1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-phenylbenzo[e]indole;1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-phenylbenzo[e]indole;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylbenzo[e]indole;1-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylbenzo[e]indole;1-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-3-phenylbenzo[e]indole;3-phenyl-1-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]benzo[e]indole;3-phenyl-1-(3-pyridin-4-ylphenyl)benzo[e]indole
CID 157232761
3-[8-[9-(4-Carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-9-phenylcarbazole;3-[8-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-9-phenylcarbazole;3-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-9-(3-phenylphenyl)carbazole;6-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-9-phenylpyrido[3,4-b]indole;8-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-5-phenylpyrido[3,2-b]indole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-[9-(5-phenylpyrido[3,2-b]indol-8-yl)dibenzofuran-2-yl]pyrido[4,3-b]indole
CID 157264801
Methyl 4-amino-1-(1,3-benzodioxol-5-ylmethyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(diethylaminomethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(pyrrol-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate
CID 157272369
6-[2-[4-(Dimethylamino)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;7-(1-hydroxyethyl)imidazo[1,2-a]pyridine-5-carboxylic acid;7-isoquinolin-7-yloxyimidazo[1,2-a]pyridine-5-carboxylic acid;7-(2-methoxyphenoxy)imidazo[1,2-a]pyridine-5-carboxylic acid;7-phenoxyimidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-piperidin-1-ylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 157324489
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CID 157382247
1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-3-pyridinyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(7-methylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-3-ylphenoxy)propan-2-ol;ethyl 2-[2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate;1-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol
CID 157389212
Benzene;6-(2,6-diphenyl-4-pyridinyl)furo[2,3-c]carbazole;10-phenylfuro[3,2-a]carbazole;6-(6-pyridin-2-yl-3-pyridinyl)furo[2,3-c]carbazole;6-(2-pyridin-3-ylpyrimidin-5-yl)furo[2,3-c]carbazole;6-(2-pyridin-4-ylpyrimidin-5-yl)furo[2,3-c]carbazole;6-pyrimidin-4-ylfuro[2,3-c]carbazole
CID 157393966

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-benzofuran-6-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(5-methyl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;ethyl 2-[2-[2-hydroxy-3-[3-(1-methylindol-6-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate;1-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol?
The IUPAC name of 1-[3-(1-benzofuran-6-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(5-methyl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;ethyl 2-[2-[2-hydroxy-3-[3-(1-methylindol-6-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate;1-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol (CID 157083793) is 1-[3-(1-benzofuran-6-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(5-methyl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;ethyl 2-[2-[2-hydroxy-3-[3-(1-methylindol-6-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate;1-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-[3-(1-benzofuran-6-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(5-methyl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;ethyl 2-[2-[2-hydroxy-3-[3-(1-methylindol-6-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate;1-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol?
The canonical SMILES for 1-[3-(1-benzofuran-6-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(5-methyl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;ethyl 2-[2-[2-hydroxy-3-[3-(1-methylindol-6-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate;1-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol is CC1C=Nc2nc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)ncc21.CCOC(=O)CC1c2ccccc2CCN1CC(O)COc1cccc(-c2ccc3ccn(C)c3c2)c1.COc1cc2c(cc1OC)CN(CC(O)COc1cccc(-c3ccc4ccn(C)c4c3)c1)CC2.COc1cccc2c1CCN(CC(O)COc1cccc(-c3ccc4ccn(C)c4c3)c1)C2.Cn1ccc2ccc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)cc21.Cn1ccc2ccc(-c3cccc(OCC(O)CN4CCc5ccccc5C4Cc4ccccc4)c3)cc21.OC(COc1cccc(-c2ccc3ccoc3c2)c1)CN1CCc2ccccc2C1.
What is the InChIKey of 1-[3-(1-benzofuran-6-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(5-methyl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;ethyl 2-[2-[2-hydroxy-3-[3-(1-methylindol-6-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate;1-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol?
The InChIKey is ADVXVPFNXJPGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N2O2.C31H34N2O4.C29H32N2O4.C28H30N2O3.C27H28N2O2.C26H25NO3.C25H26N4O2/c1-35-18-16-27-14-15-29(22-33(27)35)28-11-7-12-31(21-28)38-24-30(37)23-36-19-17-26-10-5-6-13-32(26)34(36)20-25-8-3-2-4-9-25;1-3-36-31(35)19-30-28-10-5-4-7-22(28)14-16-33(30)20-26(34)21-37-27-9-6-8-24(17-27)25-12-11-23-13-15-32(2)29(23)18-25;1-30-11-9-20-7-8-22(14-27(20)30)21-5-4-6-26(13-21)35-19-25(32)18-31-12-10-23-15-28(33-2)29(34-3)16-24(23)17-31;1-29-13-11-20-9-10-22(16-27(20)29)21-5-3-7-25(15-21)33-19-24(31)18-30-14-12-26-23(17-30)6-4-8-28(26)32-2;1-28-13-11-21-9-10-23(16-27(21)28)22-7-4-8-26(15-22)31-19-25(30)18-29-14-12-20-5-2-3-6-24(20)17-29;28-24(17-27-12-10-19-4-1-2-5-23(19)16-27)18-30-25-7-3-6-21(14-25)22-9-8-20-11-13-29-26(20)15-22;1-17-12-26-25-23(17)13-27-24(28-25)19-7-4-8-22(11-19)31-16-21(30)15-29-10-9-18-5-2-3-6-20(18)14-29/h2-16,18,21-22,30,34,37H,17,19-20,23-24H2,1H3;4-13,15,17-18,26,30,34H,3,14,16,19-21H2,1-2H3;4-9,11,13-16,25,32H,10,12,17-19H2,1-3H3;3-11,13,15-16,24,31H,12,14,17-19H2,1-2H3;2-11,13,15-16,25,30H,12,14,17-19H2,1H3;1-9,11,13-15,24,28H,10,12,16-18H2;2-8,11-13,17,21,30H,9-10,14-16H2,1H3.
What are the key properties of 1-[3-(1-benzofuran-6-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(5-methyl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;ethyl 2-[2-[2-hydroxy-3-[3-(1-methylindol-6-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate;1-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol?
1-[3-(1-benzofuran-6-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(5-methyl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;ethyl 2-[2-[2-hydroxy-3-[3-(1-methylindol-6-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate;1-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol has a molecular weight of 3142.96 g/mol, XLogP of 34.18, 50 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-benzofuran-6-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(5-methyl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;ethyl 2-[2-[2-hydroxy-3-[3-(1-methylindol-6-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate;1-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 157083793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).