N-(9-ethylcarbazol-3-yl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide

C36H32N4O — CID 18847003

About N-(9-ethylcarbazol-3-yl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide

N-(9-ethylcarbazol-3-yl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide (PubChem CID 18847003) has the molecular formula C36H32N4O and a molecular weight of 536.68 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide.

Molecular Properties

• Compound Name: N-(9-ethylcarbazol-3-yl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide
• PubChem CID: 18847003
• Molecular Formula: C36H32N4O
• Molecular Weight: 536.68 g/mol
• Exact Mass: 536.26
• IUPAC Name: N-(9-ethylcarbazol-3-yl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide
• SMILES: CCn1c2ccccc2c2cc(NC(=O)CCCc3c(-c4ccc5ccccc5n4)[nH]c4ccc(C)cc34)ccc21
• InChI: InChI=1S/C36H32N4O/c1-3-40-33-13-7-5-10-26(33)29-22-25(17-20-34(29)40)37-35(41)14-8-11-27-28-21-23(2)15-18-31(28)39-36(27)32-19-16-24-9-4-6-12-30(24)38-32/h4-7,9-10,12-13,15-22,39H,3,8,11,14H2,1-2H3,(H,37,41)
• InChIKey: KINQKPOCLLKYTL-UHFFFAOYSA-N
• XLogP: 8.78
• TPSA: 62.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.68
LogP ≤ 5	8.78
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-(9-ethylcarbazol-3-yl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide?

The IUPAC name of N-(9-ethylcarbazol-3-yl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide (CID 18847003) is N-(9-ethylcarbazol-3-yl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide.

What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide?

The canonical SMILES for N-(9-ethylcarbazol-3-yl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide is CCn1c2ccccc2c2cc(NC(=O)CCCc3c(-c4ccc5ccccc5n4)[nH]c4ccc(C)cc34)ccc21.

What is the InChIKey of N-(9-ethylcarbazol-3-yl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide?

The InChIKey is KINQKPOCLLKYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N4O/c1-3-40-33-13-7-5-10-26(33)29-22-25(17-20-34(29)40)37-35(41)14-8-11-27-28-21-23(2)15-18-31(28)39-36(27)32-19-16-24-9-4-6-12-30(24)38-32/h4-7,9-10,12-13,15-22,39H,3,8,11,14H2,1-2H3,(H,37,41).

What are the key properties of N-(9-ethylcarbazol-3-yl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide?

N-(9-ethylcarbazol-3-yl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide has a molecular weight of 536.68 g/mol, XLogP of 8.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9-ethylcarbazol-3-yl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide is sourced from PubChem (CID 18847003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).