4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N'-phenylbutanehydrazide

C27H23ClN4O — CID 18847215

About 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N'-phenylbutanehydrazide

4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N'-phenylbutanehydrazide (PubChem CID 18847215) has the molecular formula C27H23ClN4O and a molecular weight of 454.96 g/mol. Its IUPAC name is 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N'-phenylbutanehydrazide.

Molecular Properties

• Compound Name: 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N'-phenylbutanehydrazide
• PubChem CID: 18847215
• Molecular Formula: C27H23ClN4O
• Molecular Weight: 454.96 g/mol
• Exact Mass: 454.16
• IUPAC Name: 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N'-phenylbutanehydrazide
• SMILES: O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(Cl)cc12)NNc1ccccc1
• InChI: InChI=1S/C27H23ClN4O/c28-19-14-16-24-22(17-19)21(10-6-12-26(33)32-31-20-8-2-1-3-9-20)27(30-24)25-15-13-18-7-4-5-11-23(18)29-25/h1-5,7-9,11,13-17,30-31H,6,10,12H2,(H,32,33)
• InChIKey: AGSXVWSYZLEINX-UHFFFAOYSA-N
• XLogP: 6.50
• TPSA: 69.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.96
LogP ≤ 5	6.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N'-phenylbutanehydrazide?

The IUPAC name of 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N'-phenylbutanehydrazide (CID 18847215) is 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N'-phenylbutanehydrazide.

What is the SMILES notation for 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N'-phenylbutanehydrazide?

The canonical SMILES for 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N'-phenylbutanehydrazide is O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(Cl)cc12)NNc1ccccc1.

What is the InChIKey of 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N'-phenylbutanehydrazide?

The InChIKey is AGSXVWSYZLEINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN4O/c28-19-14-16-24-22(17-19)21(10-6-12-26(33)32-31-20-8-2-1-3-9-20)27(30-24)25-15-13-18-7-4-5-11-23(18)29-25/h1-5,7-9,11,13-17,30-31H,6,10,12H2,(H,32,33).

What are the key properties of 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N'-phenylbutanehydrazide?

4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N'-phenylbutanehydrazide has a molecular weight of 454.96 g/mol, XLogP of 6.50, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N'-phenylbutanehydrazide is sourced from PubChem (CID 18847215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).