8-(2-fluoro-6-nonoxy-3-pyridinyl)-3-methyl-1-(oxan-3-yl)imidazo[4,5-c]quinolin-2-one

C30H37FN4O3 — CID 134377641

About 8-(2-fluoro-6-nonoxy-3-pyridinyl)-3-methyl-1-(oxan-3-yl)imidazo[4,5-c]quinolin-2-one

8-(2-fluoro-6-nonoxy-3-pyridinyl)-3-methyl-1-(oxan-3-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 134377641) has the molecular formula C30H37FN4O3 and a molecular weight of 520.65 g/mol. Its IUPAC name is 8-(2-fluoro-6-nonoxy-3-pyridinyl)-3-methyl-1-(oxan-3-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

• Compound Name: 8-(2-fluoro-6-nonoxy-3-pyridinyl)-3-methyl-1-(oxan-3-yl)imidazo[4,5-c]quinolin-2-one
• PubChem CID: 134377641
• Molecular Formula: C30H37FN4O3
• Molecular Weight: 520.65 g/mol
• Exact Mass: 520.28
• IUPAC Name: 8-(2-fluoro-6-nonoxy-3-pyridinyl)-3-methyl-1-(oxan-3-yl)imidazo[4,5-c]quinolin-2-one
• SMILES: CCCCCCCCCOc1ccc(-c2ccc3ncc4c(c3c2)n(C2CCCOC2)c(=O)n4C)c(F)n1
• InChI: InChI=1S/C30H37FN4O3/c1-3-4-5-6-7-8-9-17-38-27-15-13-23(29(31)33-27)21-12-14-25-24(18-21)28-26(19-32-25)34(2)30(36)35(28)22-11-10-16-37-20-22/h12-15,18-19,22H,3-11,16-17,20H2,1-2H3
• InChIKey: GJZZQJGEMOUMHE-UHFFFAOYSA-N
• XLogP: 6.57
• TPSA: 71.17 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.65
LogP ≤ 5	6.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 8-(2-fluoro-6-nonoxy-3-pyridinyl)-3-methyl-1-(oxan-3-yl)imidazo[4,5-c]quinolin-2-one (CID 134377641) is 8-(2-fluoro-6-nonoxy-3-pyridinyl)-3-methyl-1-(oxan-3-yl)imidazo[4,5-c]quinolin-2-one.

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

The canonical SMILES for 8-(2-fluoro-6-nonoxy-3-pyridinyl)-3-methyl-1-(oxan-3-yl)imidazo[4,5-c]quinolin-2-one is CCCCCCCCCOc1ccc(-c2ccc3ncc4c(c3c2)n(C2CCCOC2)c(=O)n4C)c(F)n1.

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

The InChIKey is GJZZQJGEMOUMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37FN4O3/c1-3-4-5-6-7-8-9-17-38-27-15-13-23(29(31)33-27)21-12-14-25-24(18-21)28-26(19-32-25)34(2)30(36)35(28)22-11-10-16-37-20-22/h12-15,18-19,22H,3-11,16-17,20H2,1-2H3.

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

8-(2-fluoro-6-nonoxy-3-pyridinyl)-3-methyl-1-(oxan-3-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 520.65 g/mol, XLogP of 6.57, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2-fluoro-6-nonoxy-3-pyridinyl)-3-methyl-1-(oxan-3-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 134377641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).