2-(4-aminophenyl)-1-ethyl-5-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]acetamide;6-methoxy-2-[2-(3-methoxyphenyl)ethynyl]-1H-indole-3-carbonitrile;6-methoxy-2-[2-(4-methylphenyl)ethynyl]-1H-indole-3-carbonitrile;6-methoxy-2-(2-phenylethynyl)-1H-indole-3-carbonitrile;methyl 4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)benzoate

C135H111N17O12 — CID 159176577

About 2-(4-aminophenyl)-1-ethyl-5-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]acetamide;6-methoxy-2-[2-(3-methoxyphenyl)ethynyl]-1H-indole-3-carbonitrile;6-methoxy-2-[2-(4-methylphenyl)ethynyl]-1H-indole-3-carbonitrile;6-methoxy-2-(2-phenylethynyl)-1H-indole-3-carbonitrile;methyl 4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)benzoate

2-(4-aminophenyl)-1-ethyl-5-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]acetamide;6-methoxy-2-[2-(3-methoxyphenyl)ethynyl]-1H-indole-3-carbonitrile;6-methoxy-2-[2-(4-methylphenyl)ethynyl]-1H-indole-3-carbonitrile;6-methoxy-2-(2-phenylethynyl)-1H-indole-3-carbonitrile;methyl 4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)benzoate (PubChem CID 159176577) has the molecular formula C135H111N17O12 and a molecular weight of 2163.48 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-ethyl-5-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]acetamide;6-methoxy-2-[2-(3-methoxyphenyl)ethynyl]-1H-indole-3-carbonitrile;6-methoxy-2-[2-(4-methylphenyl)ethynyl]-1H-indole-3-carbonitrile;6-methoxy-2-(2-phenylethynyl)-1H-indole-3-carbonitrile;methyl 4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)benzoate.

Molecular Properties

• Compound Name: 2-(4-aminophenyl)-1-ethyl-5-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]acetamide;6-methoxy-2-[2-(3-methoxyphenyl)ethynyl]-1H-indole-3-carbonitrile;6-methoxy-2-[2-(4-methylphenyl)ethynyl]-1H-indole-3-carbonitrile;6-methoxy-2-(2-phenylethynyl)-1H-indole-3-carbonitrile;methyl 4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)benzoate
• PubChem CID: 159176577
• Molecular Formula: C135H111N17O12
• Molecular Weight: 2163.48 g/mol
• Exact Mass: 2161.86
• IUPAC Name: 2-(4-aminophenyl)-1-ethyl-5-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]acetamide;6-methoxy-2-[2-(3-methoxyphenyl)ethynyl]-1H-indole-3-carbonitrile;6-methoxy-2-[2-(4-methylphenyl)ethynyl]-1H-indole-3-carbonitrile;6-methoxy-2-(2-phenylethynyl)-1H-indole-3-carbonitrile;methyl 4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)benzoate
• SMILES: CCn1c(-c2ccc(C(=O)OC)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2ccc(N)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2ccc(NC(C)=O)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(C#Cc2ccc(NC=O)cc2)c(C#N)c2ccc(OC)cc21.COc1ccc2c(C#N)c(C#Cc3ccc(C)cc3)[nH]c2c1.COc1ccc2c(C#N)c(C#Cc3ccccc3)[nH]c2c1.COc1cccc(C#Cc2[nH]c3cc(OC)ccc3c2C#N)c1
• InChI: InChI=1S/C21H17N3O2.C20H19N3O2.C20H18N2O3.C19H14N2O2.C19H14N2O.C18H17N3O.C18H12N2O/c1-3-24-20(11-6-15-4-7-16(8-5-15)23-14-25)19(13-22)18-10-9-17(26-2)12-21(18)24;1-4-23-19-10-9-16(25-3)11-17(19)18(12-21)20(23)14-5-7-15(8-6-14)22-13(2)24;1-4-22-18-10-9-15(24-2)11-16(18)17(12-21)19(22)13-5-7-14(8-6-13)20(23)25-3;1-22-14-5-3-4-13(10-14)6-9-18-17(12-20)16-8-7-15(23-2)11-19(16)21-18;1-13-3-5-14(6-4-13)7-10-18-17(12-20)16-9-8-15(22-2)11-19(16)21-18;1-3-21-17-9-8-14(22-2)10-15(17)16(11-19)18(21)12-4-6-13(20)7-5-12;1-21-14-8-9-15-16(12-19)17(20-18(15)11-14)10-7-13-5-3-2-4-6-13/h4-5,7-10,12,14H,3H2,1-2H3,(H,23,25);5-11H,4H2,1-3H3,(H,22,24);5-11H,4H2,1-3H3;3-5,7-8,10-11,21H,1-2H3;3-6,8-9,11,21H,1-2H3;4-10H,3,20H2,1-2H3;2-6,8-9,11,20H,1H3
• InChIKey: KMIWQMQJSOFYMH-UHFFFAOYSA-N
• XLogP: 26.12
• TPSA: 417.98 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 19
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2163.48
LogP ≤ 5	26.12
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-ethyl-5-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]acetamide;6-methoxy-2-[2-(3-methoxyphenyl)ethynyl]-1H-indole-3-carbonitrile;6-methoxy-2-[2-(4-methylphenyl)ethynyl]-1H-indole-3-carbonitrile;6-methoxy-2-(2-phenylethynyl)-1H-indole-3-carbonitrile;methyl 4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)benzoate?

The IUPAC name of 2-(4-aminophenyl)-1-ethyl-5-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]acetamide;6-methoxy-2-[2-(3-methoxyphenyl)ethynyl]-1H-indole-3-carbonitrile;6-methoxy-2-[2-(4-methylphenyl)ethynyl]-1H-indole-3-carbonitrile;6-methoxy-2-(2-phenylethynyl)-1H-indole-3-carbonitrile;methyl 4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)benzoate (CID 159176577) is 2-(4-aminophenyl)-1-ethyl-5-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]acetamide;6-methoxy-2-[2-(3-methoxyphenyl)ethynyl]-1H-indole-3-carbonitrile;6-methoxy-2-[2-(4-methylphenyl)ethynyl]-1H-indole-3-carbonitrile;6-methoxy-2-(2-phenylethynyl)-1H-indole-3-carbonitrile;methyl 4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)benzoate.

What is the SMILES notation for 2-(4-aminophenyl)-1-ethyl-5-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]acetamide;6-methoxy-2-[2-(3-methoxyphenyl)ethynyl]-1H-indole-3-carbonitrile;6-methoxy-2-[2-(4-methylphenyl)ethynyl]-1H-indole-3-carbonitrile;6-methoxy-2-(2-phenylethynyl)-1H-indole-3-carbonitrile;methyl 4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)benzoate?

The canonical SMILES for 2-(4-aminophenyl)-1-ethyl-5-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]acetamide;6-methoxy-2-[2-(3-methoxyphenyl)ethynyl]-1H-indole-3-carbonitrile;6-methoxy-2-[2-(4-methylphenyl)ethynyl]-1H-indole-3-carbonitrile;6-methoxy-2-(2-phenylethynyl)-1H-indole-3-carbonitrile;methyl 4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)benzoate is CCn1c(-c2ccc(C(=O)OC)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2ccc(N)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2ccc(NC(C)=O)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(C#Cc2ccc(NC=O)cc2)c(C#N)c2ccc(OC)cc21.COc1ccc2c(C#N)c(C#Cc3ccc(C)cc3)[nH]c2c1.COc1ccc2c(C#N)c(C#Cc3ccccc3)[nH]c2c1.COc1cccc(C#Cc2[nH]c3cc(OC)ccc3c2C#N)c1.

What is the InChIKey of 2-(4-aminophenyl)-1-ethyl-5-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]acetamide;6-methoxy-2-[2-(3-methoxyphenyl)ethynyl]-1H-indole-3-carbonitrile;6-methoxy-2-[2-(4-methylphenyl)ethynyl]-1H-indole-3-carbonitrile;6-methoxy-2-(2-phenylethynyl)-1H-indole-3-carbonitrile;methyl 4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)benzoate?

The InChIKey is KMIWQMQJSOFYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2.C20H19N3O2.C20H18N2O3.C19H14N2O2.C19H14N2O.C18H17N3O.C18H12N2O/c1-3-24-20(11-6-15-4-7-16(8-5-15)23-14-25)19(13-22)18-10-9-17(26-2)12-21(18)24;1-4-23-19-10-9-16(25-3)11-17(19)18(12-21)20(23)14-5-7-15(8-6-14)22-13(2)24;1-4-22-18-10-9-15(24-2)11-16(18)17(12-21)19(22)13-5-7-14(8-6-13)20(23)25-3;1-22-14-5-3-4-13(10-14)6-9-18-17(12-20)16-8-7-15(23-2)11-19(16)21-18;1-13-3-5-14(6-4-13)7-10-18-17(12-20)16-9-8-15(22-2)11-19(16)21-18;1-3-21-17-9-8-14(22-2)10-15(17)16(11-19)18(21)12-4-6-13(20)7-5-12;1-21-14-8-9-15-16(12-19)17(20-18(15)11-14)10-7-13-5-3-2-4-6-13/h4-5,7-10,12,14H,3H2,1-2H3,(H,23,25);5-11H,4H2,1-3H3,(H,22,24);5-11H,4H2,1-3H3;3-5,7-8,10-11,21H,1-2H3;3-6,8-9,11,21H,1-2H3;4-10H,3,20H2,1-2H3;2-6,8-9,11,20H,1H3.

What are the key properties of 2-(4-aminophenyl)-1-ethyl-5-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]acetamide;6-methoxy-2-[2-(3-methoxyphenyl)ethynyl]-1H-indole-3-carbonitrile;6-methoxy-2-[2-(4-methylphenyl)ethynyl]-1H-indole-3-carbonitrile;6-methoxy-2-(2-phenylethynyl)-1H-indole-3-carbonitrile;methyl 4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)benzoate?

2-(4-aminophenyl)-1-ethyl-5-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]acetamide;6-methoxy-2-[2-(3-methoxyphenyl)ethynyl]-1H-indole-3-carbonitrile;6-methoxy-2-[2-(4-methylphenyl)ethynyl]-1H-indole-3-carbonitrile;6-methoxy-2-(2-phenylethynyl)-1H-indole-3-carbonitrile;methyl 4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)benzoate has a molecular weight of 2163.48 g/mol, XLogP of 26.12, 19 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-aminophenyl)-1-ethyl-5-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]acetamide;6-methoxy-2-[2-(3-methoxyphenyl)ethynyl]-1H-indole-3-carbonitrile;6-methoxy-2-[2-(4-methylphenyl)ethynyl]-1H-indole-3-carbonitrile;6-methoxy-2-(2-phenylethynyl)-1H-indole-3-carbonitrile;methyl 4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)benzoate is sourced from PubChem (CID 159176577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).