8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one

C26H25N5O4 — CID 59612987

About 8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one

8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one (PubChem CID 59612987) has the molecular formula C26H25N5O4 and a molecular weight of 471.52 g/mol. Its IUPAC name is 8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

• Compound Name: 8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one
• PubChem CID: 59612987
• Molecular Formula: C26H25N5O4
• Molecular Weight: 471.52 g/mol
• Exact Mass: 471.19
• IUPAC Name: 8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one
• SMILES: COc1cc(-c2ccc3ncc4c(c3c2)n(-c2cccnc2C)c(=O)n4C)cnc1C(OC)OC
• InChI: InChI=1S/C26H25N5O4/c1-15-20(7-6-10-27-15)31-24-18-11-16(8-9-19(18)28-14-21(24)30(2)26(31)32)17-12-22(33-3)23(29-13-17)25(34-4)35-5/h6-14,25H,1-5H3
• InChIKey: AFFVWVJRJQSXCG-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 93.29 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.52
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one (CID 59612987) is 8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one.

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

The canonical SMILES for 8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one is COc1cc(-c2ccc3ncc4c(c3c2)n(-c2cccnc2C)c(=O)n4C)cnc1C(OC)OC.

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

The InChIKey is AFFVWVJRJQSXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O4/c1-15-20(7-6-10-27-15)31-24-18-11-16(8-9-19(18)28-14-21(24)30(2)26(31)32)17-12-22(33-3)23(29-13-17)25(34-4)35-5/h6-14,25H,1-5H3.

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

8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 471.52 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59612987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).