[6-acetyloxy-2-methyl-1-(4-methylphenyl)-3-nitroindol-7-yl]methyl acetate;5-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-2-methyl-3-nitroindol-6-ol;1-(3,4-dimethylphenyl)-6-methoxyindole-3-carbonitrile;6-ethoxy-1-ethylindole-3-carbonitrile;1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-propan-2-yloxyindole-3-carbonitrile;6-hydroxy-1-propan-2-ylindole-3-carbonitrile;2-(iodomethyl)-6-methoxy-1-(4-methoxyphenyl)-3-nitroindole;6-methoxy-1-(4-methoxyphenyl)indole-3-carbonitrile;6-nitro-2-pyrrol-1-yl-1H-indole-3-carbonitrile

C156H148IN23O23 — CID 160778194

About [6-acetyloxy-2-methyl-1-(4-methylphenyl)-3-nitroindol-7-yl]methyl acetate;5-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-2-methyl-3-nitroindol-6-ol;1-(3,4-dimethylphenyl)-6-methoxyindole-3-carbonitrile;6-ethoxy-1-ethylindole-3-carbonitrile;1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-propan-2-yloxyindole-3-carbonitrile;6-hydroxy-1-propan-2-ylindole-3-carbonitrile;2-(iodomethyl)-6-methoxy-1-(4-methoxyphenyl)-3-nitroindole;6-methoxy-1-(4-methoxyphenyl)indole-3-carbonitrile;6-nitro-2-pyrrol-1-yl-1H-indole-3-carbonitrile

[6-acetyloxy-2-methyl-1-(4-methylphenyl)-3-nitroindol-7-yl]methyl acetate;5-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-2-methyl-3-nitroindol-6-ol;1-(3,4-dimethylphenyl)-6-methoxyindole-3-carbonitrile;6-ethoxy-1-ethylindole-3-carbonitrile;1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-propan-2-yloxyindole-3-carbonitrile;6-hydroxy-1-propan-2-ylindole-3-carbonitrile;2-(iodomethyl)-6-methoxy-1-(4-methoxyphenyl)-3-nitroindole;6-methoxy-1-(4-methoxyphenyl)indole-3-carbonitrile;6-nitro-2-pyrrol-1-yl-1H-indole-3-carbonitrile (PubChem CID 160778194) has the molecular formula C156H148IN23O23 and a molecular weight of 2839.94 g/mol. Its IUPAC name is [6-acetyloxy-2-methyl-1-(4-methylphenyl)-3-nitroindol-7-yl]methyl acetate;5-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-2-methyl-3-nitroindol-6-ol;1-(3,4-dimethylphenyl)-6-methoxyindole-3-carbonitrile;6-ethoxy-1-ethylindole-3-carbonitrile;1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-propan-2-yloxyindole-3-carbonitrile;6-hydroxy-1-propan-2-ylindole-3-carbonitrile;2-(iodomethyl)-6-methoxy-1-(4-methoxyphenyl)-3-nitroindole;6-methoxy-1-(4-methoxyphenyl)indole-3-carbonitrile;6-nitro-2-pyrrol-1-yl-1H-indole-3-carbonitrile.

Molecular Properties

• Compound Name: [6-acetyloxy-2-methyl-1-(4-methylphenyl)-3-nitroindol-7-yl]methyl acetate;5-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-2-methyl-3-nitroindol-6-ol;1-(3,4-dimethylphenyl)-6-methoxyindole-3-carbonitrile;6-ethoxy-1-ethylindole-3-carbonitrile;1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-propan-2-yloxyindole-3-carbonitrile;6-hydroxy-1-propan-2-ylindole-3-carbonitrile;2-(iodomethyl)-6-methoxy-1-(4-methoxyphenyl)-3-nitroindole;6-methoxy-1-(4-methoxyphenyl)indole-3-carbonitrile;6-nitro-2-pyrrol-1-yl-1H-indole-3-carbonitrile
• PubChem CID: 160778194
• Molecular Formula: C156H148IN23O23
• Molecular Weight: 2839.94 g/mol
• Exact Mass: 2838.02
• IUPAC Name: [6-acetyloxy-2-methyl-1-(4-methylphenyl)-3-nitroindol-7-yl]methyl acetate;5-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-2-methyl-3-nitroindol-6-ol;1-(3,4-dimethylphenyl)-6-methoxyindole-3-carbonitrile;6-ethoxy-1-ethylindole-3-carbonitrile;1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-propan-2-yloxyindole-3-carbonitrile;6-hydroxy-1-propan-2-ylindole-3-carbonitrile;2-(iodomethyl)-6-methoxy-1-(4-methoxyphenyl)-3-nitroindole;6-methoxy-1-(4-methoxyphenyl)indole-3-carbonitrile;6-nitro-2-pyrrol-1-yl-1H-indole-3-carbonitrile
• SMILES: CC(=O)OCc1c(OC(C)=O)ccc2c([N+](=O)[O-])c(C)n(-c3ccc(C)cc3)c12.CC(C)n1cc(C#N)c2ccc(O)cc21.CCOc1ccc2c(C#N)cn(CC)c2c1.CCn1cc(C#N)c2ccc(OC(C)C)cc21.CCn1cc(C#N)c2ccc(OC)cc21.COc1ccc(-n2c(C)c([N+](=O)[O-])c3cc(CN(C)C)c(O)cc32)cc1.COc1ccc(-n2c(CI)c([N+](=O)[O-])c3ccc(OC)cc32)cc1.COc1ccc(-n2cc(C#N)c3ccc(OC)cc32)cc1.COc1ccc2c(C#N)cn(-c3ccc(C)c(C)c3)c2c1.N#Cc1c(-n2cccc2)[nH]c2cc([N+](=O)[O-])ccc12
• InChI: InChI=1S/C21H20N2O6.C19H21N3O4.C18H16N2O.C17H15IN2O4.C17H14N2O2.C14H16N2O.C13H8N4O2.C13H14N2O.2C12H12N2O/c1-12-5-7-16(8-6-12)22-13(2)20(23(26)27)17-9-10-19(29-15(4)25)18(21(17)22)11-28-14(3)24;1-12-19(22(24)25)16-9-13(11-20(2)3)18(23)10-17(16)21(12)14-5-7-15(26-4)8-6-14;1-12-4-5-15(8-13(12)2)20-11-14(10-19)17-7-6-16(21-3)9-18(17)20;1-23-12-5-3-11(4-6-12)19-15-9-13(24-2)7-8-14(15)17(20(21)22)16(19)10-18;1-20-14-5-3-13(4-6-14)19-11-12(10-18)16-8-7-15(21-2)9-17(16)19;1-4-16-9-11(8-15)13-6-5-12(7-14(13)16)17-10(2)3;14-8-11-10-4-3-9(17(18)19)7-12(10)15-13(11)16-5-1-2-6-16;1-3-15-9-10(8-14)12-6-5-11(16-4-2)7-13(12)15;1-8(2)14-7-9(6-13)11-4-3-10(15)5-12(11)14;1-3-14-8-9(7-13)11-5-4-10(15-2)6-12(11)14/h5-10H,11H2,1-4H3;5-10,23H,11H2,1-4H3;4-9,11H,1-3H3;3-9H,10H2,1-2H3;3-9,11H,1-2H3;5-7,9-10H,4H2,1-3H3;1-7,15H;5-7,9H,3-4H2,1-2H3;3-5,7-8,15H,1-2H3;4-6,8H,3H2,1-2H3
• InChIKey: SAFOZJZDMHQGLD-UHFFFAOYSA-N
• XLogP: 34.24
• TPSA: 583.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 41
• Rotatable Bonds: 31
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2839.94
LogP ≤ 5	34.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'pyrrole_F(5)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [6-acetyloxy-2-methyl-1-(4-methylphenyl)-3-nitroindol-7-yl]methyl acetate;5-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-2-methyl-3-nitroindol-6-ol;1-(3,4-dimethylphenyl)-6-methoxyindole-3-carbonitrile;6-ethoxy-1-ethylindole-3-carbonitrile;1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-propan-2-yloxyindole-3-carbonitrile;6-hydroxy-1-propan-2-ylindole-3-carbonitrile;2-(iodomethyl)-6-methoxy-1-(4-methoxyphenyl)-3-nitroindole;6-methoxy-1-(4-methoxyphenyl)indole-3-carbonitrile;6-nitro-2-pyrrol-1-yl-1H-indole-3-carbonitrile?

The IUPAC name of [6-acetyloxy-2-methyl-1-(4-methylphenyl)-3-nitroindol-7-yl]methyl acetate;5-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-2-methyl-3-nitroindol-6-ol;1-(3,4-dimethylphenyl)-6-methoxyindole-3-carbonitrile;6-ethoxy-1-ethylindole-3-carbonitrile;1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-propan-2-yloxyindole-3-carbonitrile;6-hydroxy-1-propan-2-ylindole-3-carbonitrile;2-(iodomethyl)-6-methoxy-1-(4-methoxyphenyl)-3-nitroindole;6-methoxy-1-(4-methoxyphenyl)indole-3-carbonitrile;6-nitro-2-pyrrol-1-yl-1H-indole-3-carbonitrile (CID 160778194) is [6-acetyloxy-2-methyl-1-(4-methylphenyl)-3-nitroindol-7-yl]methyl acetate;5-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-2-methyl-3-nitroindol-6-ol;1-(3,4-dimethylphenyl)-6-methoxyindole-3-carbonitrile;6-ethoxy-1-ethylindole-3-carbonitrile;1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-propan-2-yloxyindole-3-carbonitrile;6-hydroxy-1-propan-2-ylindole-3-carbonitrile;2-(iodomethyl)-6-methoxy-1-(4-methoxyphenyl)-3-nitroindole;6-methoxy-1-(4-methoxyphenyl)indole-3-carbonitrile;6-nitro-2-pyrrol-1-yl-1H-indole-3-carbonitrile.

What is the SMILES notation for [6-acetyloxy-2-methyl-1-(4-methylphenyl)-3-nitroindol-7-yl]methyl acetate;5-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-2-methyl-3-nitroindol-6-ol;1-(3,4-dimethylphenyl)-6-methoxyindole-3-carbonitrile;6-ethoxy-1-ethylindole-3-carbonitrile;1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-propan-2-yloxyindole-3-carbonitrile;6-hydroxy-1-propan-2-ylindole-3-carbonitrile;2-(iodomethyl)-6-methoxy-1-(4-methoxyphenyl)-3-nitroindole;6-methoxy-1-(4-methoxyphenyl)indole-3-carbonitrile;6-nitro-2-pyrrol-1-yl-1H-indole-3-carbonitrile?

The canonical SMILES for [6-acetyloxy-2-methyl-1-(4-methylphenyl)-3-nitroindol-7-yl]methyl acetate;5-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-2-methyl-3-nitroindol-6-ol;1-(3,4-dimethylphenyl)-6-methoxyindole-3-carbonitrile;6-ethoxy-1-ethylindole-3-carbonitrile;1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-propan-2-yloxyindole-3-carbonitrile;6-hydroxy-1-propan-2-ylindole-3-carbonitrile;2-(iodomethyl)-6-methoxy-1-(4-methoxyphenyl)-3-nitroindole;6-methoxy-1-(4-methoxyphenyl)indole-3-carbonitrile;6-nitro-2-pyrrol-1-yl-1H-indole-3-carbonitrile is CC(=O)OCc1c(OC(C)=O)ccc2c([N+](=O)[O-])c(C)n(-c3ccc(C)cc3)c12.CC(C)n1cc(C#N)c2ccc(O)cc21.CCOc1ccc2c(C#N)cn(CC)c2c1.CCn1cc(C#N)c2ccc(OC(C)C)cc21.CCn1cc(C#N)c2ccc(OC)cc21.COc1ccc(-n2c(C)c([N+](=O)[O-])c3cc(CN(C)C)c(O)cc32)cc1.COc1ccc(-n2c(CI)c([N+](=O)[O-])c3ccc(OC)cc32)cc1.COc1ccc(-n2cc(C#N)c3ccc(OC)cc32)cc1.COc1ccc2c(C#N)cn(-c3ccc(C)c(C)c3)c2c1.N#Cc1c(-n2cccc2)[nH]c2cc([N+](=O)[O-])ccc12.

What is the InChIKey of [6-acetyloxy-2-methyl-1-(4-methylphenyl)-3-nitroindol-7-yl]methyl acetate;5-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-2-methyl-3-nitroindol-6-ol;1-(3,4-dimethylphenyl)-6-methoxyindole-3-carbonitrile;6-ethoxy-1-ethylindole-3-carbonitrile;1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-propan-2-yloxyindole-3-carbonitrile;6-hydroxy-1-propan-2-ylindole-3-carbonitrile;2-(iodomethyl)-6-methoxy-1-(4-methoxyphenyl)-3-nitroindole;6-methoxy-1-(4-methoxyphenyl)indole-3-carbonitrile;6-nitro-2-pyrrol-1-yl-1H-indole-3-carbonitrile?

The InChIKey is SAFOZJZDMHQGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O6.C19H21N3O4.C18H16N2O.C17H15IN2O4.C17H14N2O2.C14H16N2O.C13H8N4O2.C13H14N2O.2C12H12N2O/c1-12-5-7-16(8-6-12)22-13(2)20(23(26)27)17-9-10-19(29-15(4)25)18(21(17)22)11-28-14(3)24;1-12-19(22(24)25)16-9-13(11-20(2)3)18(23)10-17(16)21(12)14-5-7-15(26-4)8-6-14;1-12-4-5-15(8-13(12)2)20-11-14(10-19)17-7-6-16(21-3)9-18(17)20;1-23-12-5-3-11(4-6-12)19-15-9-13(24-2)7-8-14(15)17(20(21)22)16(19)10-18;1-20-14-5-3-13(4-6-14)19-11-12(10-18)16-8-7-15(21-2)9-17(16)19;1-4-16-9-11(8-15)13-6-5-12(7-14(13)16)17-10(2)3;14-8-11-10-4-3-9(17(18)19)7-12(10)15-13(11)16-5-1-2-6-16;1-3-15-9-10(8-14)12-6-5-11(16-4-2)7-13(12)15;1-8(2)14-7-9(6-13)11-4-3-10(15)5-12(11)14;1-3-14-8-9(7-13)11-5-4-10(15-2)6-12(11)14/h5-10H,11H2,1-4H3;5-10,23H,11H2,1-4H3;4-9,11H,1-3H3;3-9H,10H2,1-2H3;3-9,11H,1-2H3;5-7,9-10H,4H2,1-3H3;1-7,15H;5-7,9H,3-4H2,1-2H3;3-5,7-8,15H,1-2H3;4-6,8H,3H2,1-2H3.

What are the key properties of [6-acetyloxy-2-methyl-1-(4-methylphenyl)-3-nitroindol-7-yl]methyl acetate;5-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-2-methyl-3-nitroindol-6-ol;1-(3,4-dimethylphenyl)-6-methoxyindole-3-carbonitrile;6-ethoxy-1-ethylindole-3-carbonitrile;1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-propan-2-yloxyindole-3-carbonitrile;6-hydroxy-1-propan-2-ylindole-3-carbonitrile;2-(iodomethyl)-6-methoxy-1-(4-methoxyphenyl)-3-nitroindole;6-methoxy-1-(4-methoxyphenyl)indole-3-carbonitrile;6-nitro-2-pyrrol-1-yl-1H-indole-3-carbonitrile?

[6-acetyloxy-2-methyl-1-(4-methylphenyl)-3-nitroindol-7-yl]methyl acetate;5-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-2-methyl-3-nitroindol-6-ol;1-(3,4-dimethylphenyl)-6-methoxyindole-3-carbonitrile;6-ethoxy-1-ethylindole-3-carbonitrile;1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-propan-2-yloxyindole-3-carbonitrile;6-hydroxy-1-propan-2-ylindole-3-carbonitrile;2-(iodomethyl)-6-methoxy-1-(4-methoxyphenyl)-3-nitroindole;6-methoxy-1-(4-methoxyphenyl)indole-3-carbonitrile;6-nitro-2-pyrrol-1-yl-1H-indole-3-carbonitrile has a molecular weight of 2839.94 g/mol, XLogP of 34.24, 31 rotatable bonds, 3 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for [6-acetyloxy-2-methyl-1-(4-methylphenyl)-3-nitroindol-7-yl]methyl acetate;5-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-2-methyl-3-nitroindol-6-ol;1-(3,4-dimethylphenyl)-6-methoxyindole-3-carbonitrile;6-ethoxy-1-ethylindole-3-carbonitrile;1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-propan-2-yloxyindole-3-carbonitrile;6-hydroxy-1-propan-2-ylindole-3-carbonitrile;2-(iodomethyl)-6-methoxy-1-(4-methoxyphenyl)-3-nitroindole;6-methoxy-1-(4-methoxyphenyl)indole-3-carbonitrile;6-nitro-2-pyrrol-1-yl-1H-indole-3-carbonitrile is sourced from PubChem (CID 160778194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).