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

C24H23F3N8O — CID 87096017

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

[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-4-(2-morpholin-4-ylethyl)imidazo[4,5-c]quinolin-2-yl]cyanamide (PubChem CID 87096017) has the molecular formula C24H23F3N8O and a molecular weight of 496.50 g/mol. Its IUPAC name is [8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-4-(2-morpholin-4-ylethyl)imidazo[4,5-c]quinolin-2-yl]cyanamide.

Molecular Properties

• Compound Name: [8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-4-(2-morpholin-4-ylethyl)imidazo[4,5-c]quinolin-2-yl]cyanamide
• PubChem CID: 87096017
• Molecular Formula: C24H23F3N8O
• Molecular Weight: 496.50 g/mol
• Exact Mass: 496.19
• IUPAC Name: [8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-4-(2-morpholin-4-ylethyl)imidazo[4,5-c]quinolin-2-yl]cyanamide
• SMILES: Cn1c(NC#N)nc2c3cc(-c4cnc(N)c(C(F)(F)F)c4)ccc3nc(CCN3CCOCC3)c21
• InChI: InChI=1S/C24H23F3N8O/c1-34-21-19(4-5-35-6-8-36-9-7-35)32-18-3-2-14(10-16(18)20(21)33-23(34)31-13-28)15-11-17(24(25,26)27)22(29)30-12-15/h2-3,10-12H,4-9H2,1H3,(H2,29,30)(H,31,33)
• InChIKey: IJMHEMXYOKHCCM-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 117.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.50
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of [8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-4-(2-morpholin-4-ylethyl)imidazo[4,5-c]quinolin-2-yl]cyanamide (CID 87096017) is [8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-4-(2-morpholin-4-ylethyl)imidazo[4,5-c]quinolin-2-yl]cyanamide.

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

The canonical SMILES for [8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-4-(2-morpholin-4-ylethyl)imidazo[4,5-c]quinolin-2-yl]cyanamide is Cn1c(NC#N)nc2c3cc(-c4cnc(N)c(C(F)(F)F)c4)ccc3nc(CCN3CCOCC3)c21.

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

The InChIKey is IJMHEMXYOKHCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N8O/c1-34-21-19(4-5-35-6-8-36-9-7-35)32-18-3-2-14(10-16(18)20(21)33-23(34)31-13-28)15-11-17(24(25,26)27)22(29)30-12-15/h2-3,10-12H,4-9H2,1H3,(H2,29,30)(H,31,33).

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

[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-4-(2-morpholin-4-ylethyl)imidazo[4,5-c]quinolin-2-yl]cyanamide has a molecular weight of 496.50 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-4-(2-morpholin-4-ylethyl)imidazo[4,5-c]quinolin-2-yl]cyanamide is sourced from PubChem (CID 87096017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).