4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)butanamide

C28H26N4O — CID 18846980

About 4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)butanamide

4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)butanamide (PubChem CID 18846980) has the molecular formula C28H26N4O and a molecular weight of 434.54 g/mol. Its IUPAC name is 4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)butanamide.

Molecular Properties

• Compound Name: 4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)butanamide
• PubChem CID: 18846980
• Molecular Formula: C28H26N4O
• Molecular Weight: 434.54 g/mol
• Exact Mass: 434.21
• IUPAC Name: 4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)butanamide
• SMILES: Cc1ccc2[nH]c(-c3ccc4ccccc4n3)c(CCCC(=O)NCc3ccccn3)c2c1
• InChI: InChI=1S/C28H26N4O/c1-19-12-14-25-23(17-19)22(9-6-11-27(33)30-18-21-8-4-5-16-29-21)28(32-25)26-15-13-20-7-2-3-10-24(20)31-26/h2-5,7-8,10,12-17,32H,6,9,11,18H2,1H3,(H,30,33)
• InChIKey: FMNPGEFHNMFZPY-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 70.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.54
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)butanamide?

The IUPAC name of 4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)butanamide (CID 18846980) is 4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)butanamide.

What is the SMILES notation for 4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)butanamide?

The canonical SMILES for 4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)butanamide is Cc1ccc2[nH]c(-c3ccc4ccccc4n3)c(CCCC(=O)NCc3ccccn3)c2c1.

What is the InChIKey of 4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)butanamide?

The InChIKey is FMNPGEFHNMFZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O/c1-19-12-14-25-23(17-19)22(9-6-11-27(33)30-18-21-8-4-5-16-29-21)28(32-25)26-15-13-20-7-2-3-10-24(20)31-26/h2-5,7-8,10,12-17,32H,6,9,11,18H2,1H3,(H,30,33).

What are the key properties of 4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)butanamide?

4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)butanamide has a molecular weight of 434.54 g/mol, XLogP of 5.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)butanamide is sourced from PubChem (CID 18846980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).