1-[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone

C112H137Cl3N12O7 — CID 161055128

About 1-[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone

1-[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone (PubChem CID 161055128) has the molecular formula C112H137Cl3N12O7 and a molecular weight of 1869.76 g/mol. Its IUPAC name is 1-[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone
• PubChem CID: 161055128
• Molecular Formula: C112H137Cl3N12O7
• Molecular Weight: 1869.76 g/mol
• Exact Mass: 1866.98
• IUPAC Name: 1-[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone
• SMILES: CCc1cccc2c(C(C)=O)cn(CCCN3CCCN(Cc4ccccc4Cl)CC3)c12.COc1cccc2c(C(=O)Cc3ccccc3)cn(CCCN3CCCN(Cc4ccccc4Cl)CC3)c12.COc1cccc2c(C(C)=O)cn(CC(C)CN3CCCN(Cc4ccccc4Cl)CC3)c12.COc1cccc2c(C(C)=O)cn(CCCN3CCN(c4c(C)cccc4C)CC3)c12
• InChI: InChI=1S/C32H36ClN3O2.C27H34ClN3O2.C27H34ClN3O.C26H33N3O2/c1-38-31-15-7-13-27-28(30(37)22-25-10-3-2-4-11-25)24-36(32(27)31)19-9-17-34-16-8-18-35(21-20-34)23-26-12-5-6-14-29(26)33;1-20(17-31-19-24(21(2)32)23-9-6-11-26(33-3)27(23)31)16-29-12-7-13-30(15-14-29)18-22-8-4-5-10-25(22)28;1-3-22-10-6-11-24-25(21(2)32)20-31(27(22)24)16-8-14-29-13-7-15-30(18-17-29)19-23-9-4-5-12-26(23)28;1-19-8-5-9-20(2)25(19)28-16-14-27(15-17-28)12-7-13-29-18-23(21(3)30)22-10-6-11-24(31-4)26(22)29/h2-7,10-15,24H,8-9,16-23H2,1H3;4-6,8-11,19-20H,7,12-18H2,1-3H3;4-6,9-12,20H,3,7-8,13-19H2,1-2H3;5-6,8-11,18H,7,12-17H2,1-4H3
• InChIKey: UCQLULZKDZYAGH-UHFFFAOYSA-N
• XLogP: 22.02
• TPSA: 141.61 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 33
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1869.76
LogP ≤ 5	22.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone?

The IUPAC name of 1-[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone (CID 161055128) is 1-[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone.

What is the SMILES notation for 1-[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone?

The canonical SMILES for 1-[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone is CCc1cccc2c(C(C)=O)cn(CCCN3CCCN(Cc4ccccc4Cl)CC3)c12.COc1cccc2c(C(=O)Cc3ccccc3)cn(CCCN3CCCN(Cc4ccccc4Cl)CC3)c12.COc1cccc2c(C(C)=O)cn(CC(C)CN3CCCN(Cc4ccccc4Cl)CC3)c12.COc1cccc2c(C(C)=O)cn(CCCN3CCN(c4c(C)cccc4C)CC3)c12.

What is the InChIKey of 1-[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone?

The InChIKey is UCQLULZKDZYAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36ClN3O2.C27H34ClN3O2.C27H34ClN3O.C26H33N3O2/c1-38-31-15-7-13-27-28(30(37)22-25-10-3-2-4-11-25)24-36(32(27)31)19-9-17-34-16-8-18-35(21-20-34)23-26-12-5-6-14-29(26)33;1-20(17-31-19-24(21(2)32)23-9-6-11-26(33-3)27(23)31)16-29-12-7-13-30(15-14-29)18-22-8-4-5-10-25(22)28;1-3-22-10-6-11-24-25(21(2)32)20-31(27(22)24)16-8-14-29-13-7-15-30(18-17-29)19-23-9-4-5-12-26(23)28;1-19-8-5-9-20(2)25(19)28-16-14-27(15-17-28)12-7-13-29-18-23(21(3)30)22-10-6-11-24(31-4)26(22)29/h2-7,10-15,24H,8-9,16-23H2,1H3;4-6,8-11,19-20H,7,12-18H2,1-3H3;4-6,9-12,20H,3,7-8,13-19H2,1-2H3;5-6,8-11,18H,7,12-17H2,1-4H3.

What are the key properties of 1-[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone?

1-[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone has a molecular weight of 1869.76 g/mol, XLogP of 22.02, 33 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone is sourced from PubChem (CID 161055128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).