1-(6-fluoro-2-methyl-3-pyridinyl)-8-[6-(hydroxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one

C24H20FN5O3 — CID 59613089

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

1-(6-fluoro-2-methyl-3-pyridinyl)-8-[6-(hydroxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 59613089) has the molecular formula C24H20FN5O3 and a molecular weight of 445.45 g/mol. Its IUPAC name is 1-(6-fluoro-2-methyl-3-pyridinyl)-8-[6-(hydroxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

• Compound Name: 1-(6-fluoro-2-methyl-3-pyridinyl)-8-[6-(hydroxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
• PubChem CID: 59613089
• Molecular Formula: C24H20FN5O3
• Molecular Weight: 445.45 g/mol
• Exact Mass: 445.16
• IUPAC Name: 1-(6-fluoro-2-methyl-3-pyridinyl)-8-[6-(hydroxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
• SMILES: COc1cc(-c2ccc3ncc4c(c3c2)n(-c2ccc(F)nc2C)c(=O)n4C)cnc1CO
• InChI: InChI=1S/C24H20FN5O3/c1-13-19(6-7-22(25)28-13)30-23-16-8-14(15-9-21(33-3)18(12-31)26-10-15)4-5-17(16)27-11-20(23)29(2)24(30)32/h4-11,31H,12H2,1-3H3
• InChIKey: FHZAJWOKORHCTH-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 95.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.45
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 1-(6-fluoro-2-methyl-3-pyridinyl)-8-[6-(hydroxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one (CID 59613089) is 1-(6-fluoro-2-methyl-3-pyridinyl)-8-[6-(hydroxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one.

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

The canonical SMILES for 1-(6-fluoro-2-methyl-3-pyridinyl)-8-[6-(hydroxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one is COc1cc(-c2ccc3ncc4c(c3c2)n(-c2ccc(F)nc2C)c(=O)n4C)cnc1CO.

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

The InChIKey is FHZAJWOKORHCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O3/c1-13-19(6-7-22(25)28-13)30-23-16-8-14(15-9-21(33-3)18(12-31)26-10-15)4-5-17(16)27-11-20(23)29(2)24(30)32/h4-11,31H,12H2,1-3H3.

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

1-(6-fluoro-2-methyl-3-pyridinyl)-8-[6-(hydroxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 445.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-fluoro-2-methyl-3-pyridinyl)-8-[6-(hydroxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59613089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).