[3-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-7-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-7-ylethyl)piperazin-1-yl]methanone

C82H100N12O2 — CID 159534369

About [3-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-7-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-7-ylethyl)piperazin-1-yl]methanone

[3-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-7-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-7-ylethyl)piperazin-1-yl]methanone (PubChem CID 159534369) has the molecular formula C82H100N12O2 and a molecular weight of 1285.78 g/mol. Its IUPAC name is [3-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-7-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-7-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [3-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-7-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-7-ylethyl)piperazin-1-yl]methanone
• PubChem CID: 159534369
• Molecular Formula: C82H100N12O2
• Molecular Weight: 1285.78 g/mol
• Exact Mass: 1284.81
• IUPAC Name: [3-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-7-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-7-ylethyl)piperazin-1-yl]methanone
• SMILES: Cc1c(C)n(CCCN2CCN(C)CC2)c2ccc(Cc3ccc(C(=O)N4CCN(CCc5ccc6cccnc6c5)CC4)cc3)cc12.Cc1c(C)n(CCCN2CCN(C)CC2)c2ccc(Cc3cccc(C(=O)N4CCN(CCc5ccc6cccnc6c5)CC4)c3)cc12
• InChI: InChI=1S/2C41H50N6O/c1-31-32(2)47(17-6-16-44-21-19-43(3)20-22-44)40-13-11-35(29-38(31)40)27-34-7-4-8-37(28-34)41(48)46-25-23-45(24-26-46)18-14-33-10-12-36-9-5-15-42-39(36)30-33;1-31-32(2)47(18-5-17-44-22-20-43(3)21-23-44)40-14-10-35(29-38(31)40)28-33-8-12-37(13-9-33)41(48)46-26-24-45(25-27-46)19-15-34-7-11-36-6-4-16-42-39(36)30-34/h4-5,7-13,15,28-30H,6,14,16-27H2,1-3H3;4,6-14,16,29-30H,5,15,17-28H2,1-3H3
• InChIKey: MDKBNYMKNSPILS-UHFFFAOYSA-N
• XLogP: 12.07
• TPSA: 95.70 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 20
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1285.78
LogP ≤ 5	12.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-7-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-7-ylethyl)piperazin-1-yl]methanone?

The IUPAC name of [3-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-7-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-7-ylethyl)piperazin-1-yl]methanone (CID 159534369) is [3-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-7-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-7-ylethyl)piperazin-1-yl]methanone.

What is the SMILES notation for [3-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-7-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-7-ylethyl)piperazin-1-yl]methanone?

The canonical SMILES for [3-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-7-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-7-ylethyl)piperazin-1-yl]methanone is Cc1c(C)n(CCCN2CCN(C)CC2)c2ccc(Cc3ccc(C(=O)N4CCN(CCc5ccc6cccnc6c5)CC4)cc3)cc12.Cc1c(C)n(CCCN2CCN(C)CC2)c2ccc(Cc3cccc(C(=O)N4CCN(CCc5ccc6cccnc6c5)CC4)c3)cc12.

What is the InChIKey of [3-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-7-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-7-ylethyl)piperazin-1-yl]methanone?

The InChIKey is MDKBNYMKNSPILS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C41H50N6O/c1-31-32(2)47(17-6-16-44-21-19-43(3)20-22-44)40-13-11-35(29-38(31)40)27-34-7-4-8-37(28-34)41(48)46-25-23-45(24-26-46)18-14-33-10-12-36-9-5-15-42-39(36)30-33;1-31-32(2)47(18-5-17-44-22-20-43(3)21-23-44)40-14-10-35(29-38(31)40)28-33-8-12-37(13-9-33)41(48)46-26-24-45(25-27-46)19-15-34-7-11-36-6-4-16-42-39(36)30-34/h4-5,7-13,15,28-30H,6,14,16-27H2,1-3H3;4,6-14,16,29-30H,5,15,17-28H2,1-3H3.

What are the key properties of [3-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-7-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-7-ylethyl)piperazin-1-yl]methanone?

[3-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-7-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-7-ylethyl)piperazin-1-yl]methanone has a molecular weight of 1285.78 g/mol, XLogP of 12.07, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-7-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-7-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 159534369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).