8-(6-ethoxy-3-pyridinyl)-3-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[4,5-c]quinolin-2-one

C23H19F3N6O2 — CID 59619707

About 8-(6-ethoxy-3-pyridinyl)-3-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[4,5-c]quinolin-2-one

8-(6-ethoxy-3-pyridinyl)-3-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[4,5-c]quinolin-2-one (PubChem CID 59619707) has the molecular formula C23H19F3N6O2 and a molecular weight of 468.44 g/mol. Its IUPAC name is 8-(6-ethoxy-3-pyridinyl)-3-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[4,5-c]quinolin-2-one.

Molecular Properties

• Compound Name: 8-(6-ethoxy-3-pyridinyl)-3-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[4,5-c]quinolin-2-one
• PubChem CID: 59619707
• Molecular Formula: C23H19F3N6O2
• Molecular Weight: 468.44 g/mol
• Exact Mass: 468.15
• IUPAC Name: 8-(6-ethoxy-3-pyridinyl)-3-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[4,5-c]quinolin-2-one
• SMILES: CCOc1ccc(-c2ccc3ncc4c(c3c2)n(-c2cc(C(F)(F)F)nn2C)c(=O)n4C)cn1
• InChI: InChI=1S/C23H19F3N6O2/c1-4-34-19-8-6-14(11-28-19)13-5-7-16-15(9-13)21-17(12-27-16)30(2)22(33)32(21)20-10-18(23(24,25)26)29-31(20)3/h5-12H,4H2,1-3H3
• InChIKey: BAQMZNNBECLZGD-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 79.76 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.44
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-(6-ethoxy-3-pyridinyl)-3-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[4,5-c]quinolin-2-one?

The IUPAC name of 8-(6-ethoxy-3-pyridinyl)-3-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[4,5-c]quinolin-2-one (CID 59619707) is 8-(6-ethoxy-3-pyridinyl)-3-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[4,5-c]quinolin-2-one.

What is the SMILES notation for 8-(6-ethoxy-3-pyridinyl)-3-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[4,5-c]quinolin-2-one?

The canonical SMILES for 8-(6-ethoxy-3-pyridinyl)-3-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[4,5-c]quinolin-2-one is CCOc1ccc(-c2ccc3ncc4c(c3c2)n(-c2cc(C(F)(F)F)nn2C)c(=O)n4C)cn1.

What is the InChIKey of 8-(6-ethoxy-3-pyridinyl)-3-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[4,5-c]quinolin-2-one?

The InChIKey is BAQMZNNBECLZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O2/c1-4-34-19-8-6-14(11-28-19)13-5-7-16-15(9-13)21-17(12-27-16)30(2)22(33)32(21)20-10-18(23(24,25)26)29-31(20)3/h5-12H,4H2,1-3H3.

What are the key properties of 8-(6-ethoxy-3-pyridinyl)-3-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[4,5-c]quinolin-2-one?

8-(6-ethoxy-3-pyridinyl)-3-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[4,5-c]quinolin-2-one has a molecular weight of 468.44 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(6-ethoxy-3-pyridinyl)-3-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59619707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).