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

C30H29N3O2 — CID 18847080

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

N-(4-ethoxyphenyl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide (PubChem CID 18847080) has the molecular formula C30H29N3O2 and a molecular weight of 463.58 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide.

Molecular Properties

• Compound Name: N-(4-ethoxyphenyl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide
• PubChem CID: 18847080
• Molecular Formula: C30H29N3O2
• Molecular Weight: 463.58 g/mol
• Exact Mass: 463.23
• IUPAC Name: N-(4-ethoxyphenyl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide
• SMILES: CCOc1ccc(NC(=O)CCCc2c(-c3ccc4ccccc4n3)[nH]c3ccc(C)cc23)cc1
• InChI: InChI=1S/C30H29N3O2/c1-3-35-23-15-13-22(14-16-23)31-29(34)10-6-8-24-25-19-20(2)11-17-27(25)33-30(24)28-18-12-21-7-4-5-9-26(21)32-28/h4-5,7,9,11-19,33H,3,6,8,10H2,1-2H3,(H,31,34)
• InChIKey: CIMHSONGABQKBP-UHFFFAOYSA-N
• XLogP: 7.05
• TPSA: 67.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.58
LogP ≤ 5	7.05
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 N-(4-ethoxyphenyl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide?

The IUPAC name of N-(4-ethoxyphenyl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide (CID 18847080) is N-(4-ethoxyphenyl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide.

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

The canonical SMILES for N-(4-ethoxyphenyl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide is CCOc1ccc(NC(=O)CCCc2c(-c3ccc4ccccc4n3)[nH]c3ccc(C)cc23)cc1.

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

The InChIKey is CIMHSONGABQKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O2/c1-3-35-23-15-13-22(14-16-23)31-29(34)10-6-8-24-25-19-20(2)11-17-27(25)33-30(24)28-18-12-21-7-4-5-9-26(21)32-28/h4-5,7,9,11-19,33H,3,6,8,10H2,1-2H3,(H,31,34).

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

N-(4-ethoxyphenyl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide has a molecular weight of 463.58 g/mol, XLogP of 7.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-ethoxyphenyl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide is sourced from PubChem (CID 18847080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).