2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide

C34H24Cl2N4O2 — CID 4581581

About 2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide

2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide (PubChem CID 4581581) has the molecular formula C34H24Cl2N4O2 and a molecular weight of 591.50 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide.

Molecular Properties

• Compound Name: 2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
• PubChem CID: 4581581
• Molecular Formula: C34H24Cl2N4O2
• Molecular Weight: 591.50 g/mol
• Exact Mass: 590.13
• IUPAC Name: 2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
• SMILES: O=C(NCCNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1cc(-c2ccccc2Cl)nc2ccccc12
• InChI: InChI=1S/C34H24Cl2N4O2/c35-27-13-5-1-11-23(27)31-19-25(21-9-3-7-15-29(21)39-31)33(41)37-17-18-38-34(42)26-20-32(24-12-2-6-14-28(24)36)40-30-16-8-4-10-22(26)30/h1-16,19-20H,17-18H2,(H,37,41)(H,38,42)
• InChIKey: PFCRPYBPYCYGEC-UHFFFAOYSA-N
• XLogP: 7.58
• TPSA: 83.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	591.50
LogP ≤ 5	7.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide?

The IUPAC name of 2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide (CID 4581581) is 2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide.

What is the SMILES notation for 2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide?

The canonical SMILES for 2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide is O=C(NCCNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1cc(-c2ccccc2Cl)nc2ccccc12.

What is the InChIKey of 2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide?

The InChIKey is PFCRPYBPYCYGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24Cl2N4O2/c35-27-13-5-1-11-23(27)31-19-25(21-9-3-7-15-29(21)39-31)33(41)37-17-18-38-34(42)26-20-32(24-12-2-6-14-28(24)36)40-30-16-8-4-10-22(26)30/h1-16,19-20H,17-18H2,(H,37,41)(H,38,42).

What are the key properties of 2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide?

2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide has a molecular weight of 591.50 g/mol, XLogP of 7.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 4581581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).