8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one

C23H17F3N6O2 — CID 57344810

About 8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one

8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 57344810) has the molecular formula C23H17F3N6O2 and a molecular weight of 466.42 g/mol. Its IUPAC name is 8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

• Compound Name: 8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
• PubChem CID: 57344810
• Molecular Formula: C23H17F3N6O2
• Molecular Weight: 466.42 g/mol
• Exact Mass: 466.14
• IUPAC Name: 8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
• SMILES: COc1ccc(-n2c(=O)n(C)c3cnc4ccc(-c5cnc(N)c(C(F)(F)F)c5)cc4c32)cn1
• InChI: InChI=1S/C23H17F3N6O2/c1-31-18-11-28-17-5-3-12(13-8-16(23(24,25)26)21(27)30-9-13)7-15(17)20(18)32(22(31)33)14-4-6-19(34-2)29-10-14/h3-11H,1-2H3,(H2,27,30)
• InChIKey: XGHAXAVWAZHJQR-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 100.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.42
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one?

The IUPAC name of 8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one (CID 57344810) is 8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one.

What is the SMILES notation for 8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one?

The canonical SMILES for 8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one is COc1ccc(-n2c(=O)n(C)c3cnc4ccc(-c5cnc(N)c(C(F)(F)F)c5)cc4c32)cn1.

What is the InChIKey of 8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one?

The InChIKey is XGHAXAVWAZHJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N6O2/c1-31-18-11-28-17-5-3-12(13-8-16(23(24,25)26)21(27)30-9-13)7-15(17)20(18)32(22(31)33)14-4-6-19(34-2)29-10-14/h3-11H,1-2H3,(H2,27,30).

What are the key properties of 8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one?

8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 466.42 g/mol, XLogP of 3.94, 3 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]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 57344810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).