4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenylacetyl)butanehydrazide

C29H25FN4O2 — CID 18847440

About 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenylacetyl)butanehydrazide

4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenylacetyl)butanehydrazide (PubChem CID 18847440) has the molecular formula C29H25FN4O2 and a molecular weight of 480.54 g/mol. Its IUPAC name is 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenylacetyl)butanehydrazide.

Molecular Properties

• Compound Name: 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenylacetyl)butanehydrazide
• PubChem CID: 18847440
• Molecular Formula: C29H25FN4O2
• Molecular Weight: 480.54 g/mol
• Exact Mass: 480.20
• IUPAC Name: 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenylacetyl)butanehydrazide
• SMILES: O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(F)cc12)NNC(=O)Cc1ccccc1
• InChI: InChI=1S/C29H25FN4O2/c30-21-14-16-25-23(18-21)22(29(32-25)26-15-13-20-9-4-5-11-24(20)31-26)10-6-12-27(35)33-34-28(36)17-19-7-2-1-3-8-19/h1-5,7-9,11,13-16,18,32H,6,10,12,17H2,(H,33,35)(H,34,36)
• InChIKey: IYKLFVJPABIBLE-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 86.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.54
LogP ≤ 5	5.24
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-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenylacetyl)butanehydrazide?

The IUPAC name of 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenylacetyl)butanehydrazide (CID 18847440) is 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenylacetyl)butanehydrazide.

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

The canonical SMILES for 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenylacetyl)butanehydrazide is O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(F)cc12)NNC(=O)Cc1ccccc1.

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

The InChIKey is IYKLFVJPABIBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN4O2/c30-21-14-16-25-23(18-21)22(29(32-25)26-15-13-20-9-4-5-11-24(20)31-26)10-6-12-27(35)33-34-28(36)17-19-7-2-1-3-8-19/h1-5,7-9,11,13-16,18,32H,6,10,12,17H2,(H,33,35)(H,34,36).

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

4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenylacetyl)butanehydrazide has a molecular weight of 480.54 g/mol, XLogP of 5.24, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenylacetyl)butanehydrazide is sourced from PubChem (CID 18847440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).