2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-(1,3-benzodioxol-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-methylbenzamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)benzamide;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone

C136H119F3N18O16 — CID 160757627

IUPAC2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-(1,3-benzodioxol-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-methylbenzamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)benzamide;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone
SMILESCCn1c(-c2ccc(NC(=O)C3CC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OC(F)(F)F)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc3c(c2)OCO3)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(N)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(NC(=O)c2cccc(C)c2)c(C#N)c2ccc(OC)cc21.CCn1c(NC(=O)c2ccccc2)c(C#N)c2ccc([N+](=O)[O-])cc21.COc1ccc(-n2cc(C(C)=O)c3ccc(OC)cc32)cc1
InChIInChI=1S/C22H21N3O2.C20H19N3O2.C20H17N3O.C19H15F3N2O2.C19H16N2O3.C18H14N4O3.C18H17NO3/c1-3-25-20-12-17(27-2)10-11-18(20)19(13-23)21(25)14-6-8-16(9-7-14)24-22(26)15-4-5-15;1-4-23-18-11-15(25-3)8-9-16(18)17(12-21)19(23)22-20(24)14-7-5-6-13(2)10-14;1-3-23-19(11-6-14-4-7-15(22)8-5-14)18(13-21)17-10-9-16(24-2)12-20(17)23;1-3-24-17-10-14(25-2)8-9-15(17)16(11-23)18(24)12-4-6-13(7-5-12)26-19(20,21)22;1-3-21-16-9-13(22-2)5-6-14(16)15(10-20)19(21)12-4-7-17-18(8-12)24-11-23-17;1-2-21-16-10-13(22(24)25)8-9-14(16)15(11-19)17(21)20-18(23)12-6-4-3-5-7-12;1-12(20)17-11-19(13-4-6-14(21-2)7-5-13)18-10-15(22-3)8-9-16(17)18/h6-12,15H,3-5H2,1-2H3,(H,24,26);5-11H,4H2,1-3H3,(H,22,24);4-5,7-10,12H,3,22H2,1-2H3;4-10H,3H2,1-2H3;4-9H,3,11H2,1-2H3;3-10H,2H2,1H3,(H,20,23);4-11H,1-3H3
InChIKeyPVHQCLKJKJBNQC-UHFFFAOYSA-N
MW2318.55 g/mol
LogP28.77
Rot. Bonds26

About 2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-(1,3-benzodioxol-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-methylbenzamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)benzamide;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone

2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-(1,3-benzodioxol-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-methylbenzamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)benzamide;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone (PubChem CID 160757627) has the molecular formula C136H119F3N18O16 and a molecular weight of 2318.55 g/mol. Its IUPAC name is 2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-(1,3-benzodioxol-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-methylbenzamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)benzamide;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone.

Molecular Properties

Compound Name2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-(1,3-benzodioxol-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-methylbenzamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)benzamide;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone
PubChem CID160757627
Molecular FormulaC136H119F3N18O16
Molecular Weight2318.55 g/mol
Exact Mass2316.90
IUPAC Name2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-(1,3-benzodioxol-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-methylbenzamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)benzamide;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone
SMILESCCn1c(-c2ccc(NC(=O)C3CC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OC(F)(F)F)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc3c(c2)OCO3)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(N)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(NC(=O)c2cccc(C)c2)c(C#N)c2ccc(OC)cc21.CCn1c(NC(=O)c2ccccc2)c(C#N)c2ccc([N+](=O)[O-])cc21.COc1ccc(-n2cc(C(C)=O)c3ccc(OC)cc32)cc1
InChIInChI=1S/C22H21N3O2.C20H19N3O2.C20H17N3O.C19H15F3N2O2.C19H16N2O3.C18H14N4O3.C18H17NO3/c1-3-25-20-12-17(27-2)10-11-18(20)19(13-23)21(25)14-6-8-16(9-7-14)24-22(26)15-4-5-15;1-4-23-18-11-15(25-3)8-9-16(18)17(12-21)19(23)22-20(24)14-7-5-6-13(2)10-14;1-3-23-19(11-6-14-4-7-15(22)8-5-14)18(13-21)17-10-9-16(24-2)12-20(17)23;1-3-24-17-10-14(25-2)8-9-15(17)16(11-23)18(24)12-4-6-13(7-5-12)26-19(20,21)22;1-3-21-16-9-13(22-2)5-6-14(16)15(10-20)19(21)12-4-7-17-18(8-12)24-11-23-17;1-2-21-16-10-13(22(24)25)8-9-14(16)15(11-19)17(21)20-18(23)12-6-4-3-5-7-12;1-12(20)17-11-19(13-4-6-14(21-2)7-5-13)18-10-15(22-3)8-9-16(17)18/h6-12,15H,3-5H2,1-2H3,(H,24,26);5-11H,4H2,1-3H3,(H,22,24);4-5,7-10,12H,3,22H2,1-2H3;4-10H,3H2,1-2H3;4-9H,3,11H2,1-2H3;3-10H,2H2,1H3,(H,20,23);4-11H,1-3H3
InChIKeyPVHQCLKJKJBNQC-UHFFFAOYSA-N
XLogP28.77
TPSA443.08 Ų
H-Bond Donors4
H-Bond Acceptors30
Rotatable Bonds26
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002318.55
LogP ≤ 528.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-(1,3-benzodioxol-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-methylbenzamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)benzamide;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone with MolForge

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Related Compounds

2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-(1,3-benzodioxol-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-methylbenzamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)benzamide;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone
CID 158295870
2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-(3-cyano-1-ethyl-6-nitroindol-2-yl)carbamate;2-ethyl-5-(1-ethyl-6-methoxyindol-3-yl)-1,3,4-oxadiazole;3-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;5-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile
CID 159770717
2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-tert-butylphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-(3-cyano-1-ethyl-6-nitroindol-2-yl)carbamate;ethyl 5-ethyl-[1,3]dioxolo[4,5-f]indole-7-carboxylate;2-ethyl-5-(1-ethyl-6-methoxyindol-3-yl)-1,3,4-oxadiazole;3-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;5-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;1-ethyl-6-methoxy-2-(2-phenylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-3-(1H-pyrazol-5-yl)indole;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile;methyl 1-ethyl-3-(1,2-oxazol-5-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1H-pyrazol-5-yl)indole-6-carboxylate
CID 160389102
2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;6-(difluoromethoxy)-1-(difluoromethyl)indole-3-carbonitrile;ethyl N-(3-cyano-1-ethyl-6-nitroindol-2-yl)carbamate;6-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indole-8-carbonitrile;2-ethyl-5-(1-ethyl-6-methoxyindol-3-yl)-1,3,4-oxadiazole;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile;6-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-f]indole-8-carbonitrile
CID 161341550
N-(3-cyano-1-ethyl-6-nitroindol-2-yl)acetamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)benzamide;5-cyclopropyl-3-(1-ethyl-6-methoxyindol-3-yl)-1,2,4-oxadiazole;5-ethyl-3-(1-ethyl-6-methoxyindol-3-yl)-1,2,4-oxadiazole;1-ethyl-6-pyrrol-1-ylindole-3-carbonitrile;methyl 2-amino-1-ethyl-6-nitroindole-3-carboxylate;methyl 1-ethyl-2-(ethylamino)-6-nitroindole-3-carboxylate
CID 157312833
4-bromo-N-(3-cyano-1-ethyl-6-nitroindol-2-yl)benzamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)-3-nitrobenzamide;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;1-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropan-1-one;(1-ethyl-5-methoxyindol-3-yl)-phenylmethanone;(1-ethyl-6-methoxyindol-3-yl)-phenylmethanone;1-(1-ethyl-6-methoxyindol-3-yl)propan-1-one
CID 157562977
2-(1,3-benzodioxol-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-methylbenzamide;6-(difluoromethoxy)-1-ethylindole-3-carbonitrile;1-ethyl-2-(furan-3-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methoxyphenyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-phenylindole-3-carbonitrile
CID 157622076
2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-tert-butylphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-(3-cyano-1-ethyl-6-nitroindol-2-yl)carbamate;ethyl 5-ethyl-[1,3]dioxolo[4,5-f]indole-7-carboxylate;3-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;5-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;1-ethyl-6-methoxy-2-[2-(3-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-phenylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-3-(1H-pyrazol-5-yl)indole;methyl 1-ethyl-3-(1,2-oxazol-5-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1H-pyrazol-5-yl)indole-6-carboxylate
CID 157624924
4-bromo-N-(3-cyano-1-ethyl-6-nitroindol-2-yl)benzamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)-3-nitrobenzamide;(1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;1-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropan-1-one;1-ethyl-5-nitro-3-phenylindole;1-[5-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone;5-(4-methoxyphenyl)-[1,3]dioxolo[4,5-f]indole-7-carbonitrile;3-(4-methoxyphenyl)-5-nitro-1H-indole;5-propan-2-yl-[1,3]dioxolo[4,5-f]indole-7-carbonitrile
CID 157714843
1-(1,3-benzodioxol-5-yl)-6-methoxy-2-methylindole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-methylbenzamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)acetamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)benzamide;5-ethyl-3-(1-ethyl-6-methoxyindol-3-yl)-1,2,4-oxadiazole;1-ethyl-6-pyrrol-1-ylindole-3-carbonitrile
CID 157775996
(1-Ethyl-5-methoxyindol-3-yl)-phenylmethanone;(1-ethyl-6-methoxyindol-3-yl)-phenylmethanone;1-(1-ethyl-6-methoxyindol-3-yl)propan-1-one;methyl 2-amino-1-ethyl-6-nitroindole-3-carboxylate;methyl 1-ethyl-2-(ethylamino)-6-nitroindole-3-carboxylate
CID 158036518
1-(1,3-benzodioxol-5-yl)-6-methoxy-2-methylindole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-methylbenzamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)acetamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)benzamide;5-cyclopropyl-3-(1-ethyl-6-methoxyindol-3-yl)-1,2,4-oxadiazole;5-ethyl-3-(1-ethyl-6-methoxyindol-3-yl)-1,2,4-oxadiazole;(1-ethyl-5-methoxyindol-3-yl)-phenylmethanone;(1-ethyl-6-methoxyindol-3-yl)-phenylmethanone;1-(1-ethyl-6-methoxyindol-3-yl)propan-1-one;1-ethyl-6-pyrrol-1-ylindole-3-carbonitrile;methyl 2-amino-1-ethyl-6-nitroindole-3-carboxylate;methyl 1-ethyl-2-(ethylamino)-6-nitroindole-3-carboxylate
CID 158168511

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-(1,3-benzodioxol-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-methylbenzamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)benzamide;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone?
The IUPAC name of 2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-(1,3-benzodioxol-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-methylbenzamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)benzamide;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone (CID 160757627) is 2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-(1,3-benzodioxol-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-methylbenzamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)benzamide;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone.
What is the SMILES notation for 2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-(1,3-benzodioxol-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-methylbenzamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)benzamide;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone?
The canonical SMILES for 2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-(1,3-benzodioxol-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-methylbenzamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)benzamide;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone is CCn1c(-c2ccc(NC(=O)C3CC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OC(F)(F)F)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc3c(c2)OCO3)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(N)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(NC(=O)c2cccc(C)c2)c(C#N)c2ccc(OC)cc21.CCn1c(NC(=O)c2ccccc2)c(C#N)c2ccc([N+](=O)[O-])cc21.COc1ccc(-n2cc(C(C)=O)c3ccc(OC)cc32)cc1.
What is the InChIKey of 2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-(1,3-benzodioxol-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-methylbenzamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)benzamide;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone?
The InChIKey is PVHQCLKJKJBNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2.C20H19N3O2.C20H17N3O.C19H15F3N2O2.C19H16N2O3.C18H14N4O3.C18H17NO3/c1-3-25-20-12-17(27-2)10-11-18(20)19(13-23)21(25)14-6-8-16(9-7-14)24-22(26)15-4-5-15;1-4-23-18-11-15(25-3)8-9-16(18)17(12-21)19(23)22-20(24)14-7-5-6-13(2)10-14;1-3-23-19(11-6-14-4-7-15(22)8-5-14)18(13-21)17-10-9-16(24-2)12-20(17)23;1-3-24-17-10-14(25-2)8-9-15(17)16(11-23)18(24)12-4-6-13(7-5-12)26-19(20,21)22;1-3-21-16-9-13(22-2)5-6-14(16)15(10-20)19(21)12-4-7-17-18(8-12)24-11-23-17;1-2-21-16-10-13(22(24)25)8-9-14(16)15(11-19)17(21)20-18(23)12-6-4-3-5-7-12;1-12(20)17-11-19(13-4-6-14(21-2)7-5-13)18-10-15(22-3)8-9-16(17)18/h6-12,15H,3-5H2,1-2H3,(H,24,26);5-11H,4H2,1-3H3,(H,22,24);4-5,7-10,12H,3,22H2,1-2H3;4-10H,3H2,1-2H3;4-9H,3,11H2,1-2H3;3-10H,2H2,1H3,(H,20,23);4-11H,1-3H3.
What are the key properties of 2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-(1,3-benzodioxol-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-methylbenzamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)benzamide;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone?
2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-(1,3-benzodioxol-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-methylbenzamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)benzamide;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone has a molecular weight of 2318.55 g/mol, XLogP of 28.77, 26 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-(1,3-benzodioxol-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-methylbenzamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)benzamide;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone is sourced from PubChem (CID 160757627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).