N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide

C32H34ClN5O4 — CID 4545654

About N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide

N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide (PubChem CID 4545654) has the molecular formula C32H34ClN5O4 and a molecular weight of 588.11 g/mol. Its IUPAC name is N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide.

Molecular Properties

• Compound Name: N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
• PubChem CID: 4545654
• Molecular Formula: C32H34ClN5O4
• Molecular Weight: 588.11 g/mol
• Exact Mass: 587.23
• IUPAC Name: N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
• SMILES: COc1ccc2c(c1)c(CC(=O)NNC(=O)CCN1CCN(c3ccccc3)CC1)c(C)n2C(=O)c1ccc(Cl)cc1
• InChI: InChI=1S/C32H34ClN5O4/c1-22-27(28-20-26(42-2)12-13-29(28)38(22)32(41)23-8-10-24(33)11-9-23)21-31(40)35-34-30(39)14-15-36-16-18-37(19-17-36)25-6-4-3-5-7-25/h3-13,20H,14-19,21H2,1-2H3,(H,34,39)(H,35,40)
• InChIKey: BEOJADMWYLXREX-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 95.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	588.11
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide?

The IUPAC name of N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide (CID 4545654) is N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide.

What is the SMILES notation for N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide?

The canonical SMILES for N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide is COc1ccc2c(c1)c(CC(=O)NNC(=O)CCN1CCN(c3ccccc3)CC1)c(C)n2C(=O)c1ccc(Cl)cc1.

What is the InChIKey of N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide?

The InChIKey is BEOJADMWYLXREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34ClN5O4/c1-22-27(28-20-26(42-2)12-13-29(28)38(22)32(41)23-8-10-24(33)11-9-23)21-31(40)35-34-30(39)14-15-36-16-18-37(19-17-36)25-6-4-3-5-7-25/h3-13,20H,14-19,21H2,1-2H3,(H,34,39)(H,35,40).

What are the key properties of N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide?

N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide has a molecular weight of 588.11 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide is sourced from PubChem (CID 4545654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).