[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-ylidene]cyanamide

C24H14F6N8 — CID 56598039

About [8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-ylidene]cyanamide

[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-ylidene]cyanamide (PubChem CID 56598039) has the molecular formula C24H14F6N8 and a molecular weight of 528.42 g/mol. Its IUPAC name is [8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-ylidene]cyanamide.

Molecular Properties

• Compound Name: [8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-ylidene]cyanamide
• PubChem CID: 56598039
• Molecular Formula: C24H14F6N8
• Molecular Weight: 528.42 g/mol
• Exact Mass: 528.12
• IUPAC Name: [8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-ylidene]cyanamide
• SMILES: Cn1/c(=N\C#N)n(-c2ccc(C(F)(F)F)nc2)c2c3cc(-c4cnc(N)c(C(F)(F)F)c4)ccc3ncc21
• InChI: InChI=1S/C24H14F6N8/c1-37-18-10-33-17-4-2-12(13-7-16(23(25,26)27)21(32)35-8-13)6-15(17)20(18)38(22(37)36-11-31)14-3-5-19(34-9-14)24(28,29)30/h2-10H,1H3,(H2,32,35)/b36-22+
• InChIKey: CUFJTWFUWSILGZ-HPNXWYHWSA-N
• XLogP: 4.98
• TPSA: 110.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.42
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-ylidene]cyanamide?

The IUPAC name of [8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-ylidene]cyanamide (CID 56598039) is [8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-ylidene]cyanamide.

What is the SMILES notation for [8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-ylidene]cyanamide?

The canonical SMILES for [8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-ylidene]cyanamide is Cn1/c(=N\C#N)n(-c2ccc(C(F)(F)F)nc2)c2c3cc(-c4cnc(N)c(C(F)(F)F)c4)ccc3ncc21.

What is the InChIKey of [8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-ylidene]cyanamide?

The InChIKey is CUFJTWFUWSILGZ-HPNXWYHWSA-N. The full InChI is InChI=1S/C24H14F6N8/c1-37-18-10-33-17-4-2-12(13-7-16(23(25,26)27)21(32)35-8-13)6-15(17)20(18)38(22(37)36-11-31)14-3-5-19(34-9-14)24(28,29)30/h2-10H,1H3,(H2,32,35)/b36-22+.

What are the key properties of [8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-ylidene]cyanamide?

[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-ylidene]cyanamide has a molecular weight of 528.42 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-ylidene]cyanamide is sourced from PubChem (CID 56598039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).