CK2 Inhibitor 2

C₂₁H₁₇ClN₄O₂ — CID 156621381

About CK2 Inhibitor 2

CK2 Inhibitor 2 (PubChem CID 156621381) has the molecular formula C₂₁H₁₇ClN₄O₂ and a molecular weight of 392.85 g/mol. Its IUPAC name is 5-(3-chloroanilino)-N-(2-hydroxyethyl)benzo[c][2,6]naphthyridine-8-carboxamide.

Molecular Properties

• Compound Name: CK2 Inhibitor 2
• PubChem CID: 156621381
• Molecular Formula: C₂₁H₁₇ClN₄O₂
• Molecular Weight: 392.85 g/mol
• Exact Mass: 392.10
• IUPAC Name: 5-(3-chloroanilino)-N-(2-hydroxyethyl)benzo[c][2,6]naphthyridine-8-carboxamide
• SMILES: O=C(NCCO)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12
• InChI: InChI=1S/C21H17ClN4O2/c22-14-2-1-3-15(11-14)25-20-17-6-7-23-12-18(17)16-5-4-13(10-19(16)26-20)21(28)24-8-9-27/h1-7,10-12,27H,8-9H2,(H,24,28)(H,25,26)
• InChIKey: FPWXVWZFQXQWTH-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 87.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.85
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of CK2 Inhibitor 2?

The IUPAC name of CK2 Inhibitor 2 (CID 156621381) is 5-(3-chloroanilino)-N-(2-hydroxyethyl)benzo[c][2,6]naphthyridine-8-carboxamide.

What is the SMILES notation for CK2 Inhibitor 2?

The canonical SMILES for CK2 Inhibitor 2 is O=C(NCCO)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12.

What is the InChIKey of CK2 Inhibitor 2?

The InChIKey is FPWXVWZFQXQWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2/c22-14-2-1-3-15(11-14)25-20-17-6-7-23-12-18(17)16-5-4-13(10-19(16)26-20)21(28)24-8-9-27/h1-7,10-12,27H,8-9H2,(H,24,28)(H,25,26).

What are the key properties of CK2 Inhibitor 2?

CK2 Inhibitor 2 has a molecular weight of 392.85 g/mol, XLogP of 3.90, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for CK2 Inhibitor 2 is sourced from PubChem (CID 156621381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156621381 — identifiers, structure, computed properties (public domain)

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