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

C29H34FN5O3 — CID 118523423

About 7-fluoro-3-methyl-1-(oxan-4-yl)-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one

7-fluoro-3-methyl-1-(oxan-4-yl)-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one (PubChem CID 118523423) has the molecular formula C29H34FN5O3 and a molecular weight of 519.62 g/mol. Its IUPAC name is 7-fluoro-3-methyl-1-(oxan-4-yl)-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one.

Molecular Properties

• Compound Name: 7-fluoro-3-methyl-1-(oxan-4-yl)-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
• PubChem CID: 118523423
• Molecular Formula: C29H34FN5O3
• Molecular Weight: 519.62 g/mol
• Exact Mass: 519.26
• IUPAC Name: 7-fluoro-3-methyl-1-(oxan-4-yl)-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
• SMILES: Cn1c(=O)n(C2CCOCC2)c2c3cc(-c4ccc(OCCCN5CCCCC5)nc4)c(F)cc3ncc21
• InChI: InChI=1S/C29H34FN5O3/c1-33-26-19-31-25-17-24(30)22(16-23(25)28(26)35(29(33)36)21-8-14-37-15-9-21)20-6-7-27(32-18-20)38-13-5-12-34-10-3-2-4-11-34/h6-7,16-19,21H,2-5,8-15H2,1H3
• InChIKey: QHRPXFUAYFWEPQ-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 74.41 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.62
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-methyl-1-(oxan-4-yl)-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one?

The IUPAC name of 7-fluoro-3-methyl-1-(oxan-4-yl)-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one (CID 118523423) is 7-fluoro-3-methyl-1-(oxan-4-yl)-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one.

What is the SMILES notation for 7-fluoro-3-methyl-1-(oxan-4-yl)-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one?

The canonical SMILES for 7-fluoro-3-methyl-1-(oxan-4-yl)-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one is Cn1c(=O)n(C2CCOCC2)c2c3cc(-c4ccc(OCCCN5CCCCC5)nc4)c(F)cc3ncc21.

What is the InChIKey of 7-fluoro-3-methyl-1-(oxan-4-yl)-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one?

The InChIKey is QHRPXFUAYFWEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN5O3/c1-33-26-19-31-25-17-24(30)22(16-23(25)28(26)35(29(33)36)21-8-14-37-15-9-21)20-6-7-27(32-18-20)38-13-5-12-34-10-3-2-4-11-34/h6-7,16-19,21H,2-5,8-15H2,1H3.

What are the key properties of 7-fluoro-3-methyl-1-(oxan-4-yl)-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one?

7-fluoro-3-methyl-1-(oxan-4-yl)-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one has a molecular weight of 519.62 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-3-methyl-1-(oxan-4-yl)-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 118523423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).