8-[6-[3-(dimethylamino)propoxy]-2-fluoro-3-pyridinyl]-7-fluoro-1-(3-methoxycyclobutyl)-3-methylimidazo[4,5-c]quinolin-2-one

C26H29F2N5O3 — CID 118502821

About 8-[6-[3-(dimethylamino)propoxy]-2-fluoro-3-pyridinyl]-7-fluoro-1-(3-methoxycyclobutyl)-3-methylimidazo[4,5-c]quinolin-2-one

8-[6-[3-(dimethylamino)propoxy]-2-fluoro-3-pyridinyl]-7-fluoro-1-(3-methoxycyclobutyl)-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 118502821) has the molecular formula C26H29F2N5O3 and a molecular weight of 497.55 g/mol. Its IUPAC name is 8-[6-[3-(dimethylamino)propoxy]-2-fluoro-3-pyridinyl]-7-fluoro-1-(3-methoxycyclobutyl)-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

• Compound Name: 8-[6-[3-(dimethylamino)propoxy]-2-fluoro-3-pyridinyl]-7-fluoro-1-(3-methoxycyclobutyl)-3-methylimidazo[4,5-c]quinolin-2-one
• PubChem CID: 118502821
• Molecular Formula: C26H29F2N5O3
• Molecular Weight: 497.55 g/mol
• Exact Mass: 497.22
• IUPAC Name: 8-[6-[3-(dimethylamino)propoxy]-2-fluoro-3-pyridinyl]-7-fluoro-1-(3-methoxycyclobutyl)-3-methylimidazo[4,5-c]quinolin-2-one
• SMILES: COC1CC(n2c(=O)n(C)c3cnc4cc(F)c(-c5ccc(OCCCN(C)C)nc5F)cc4c32)C1
• InChI: InChI=1S/C26H29F2N5O3/c1-31(2)8-5-9-36-23-7-6-17(25(28)30-23)18-12-19-21(13-20(18)27)29-14-22-24(19)33(26(34)32(22)3)15-10-16(11-15)35-4/h6-7,12-16H,5,8-11H2,1-4H3
• InChIKey: GCCDCEIIJOUYDQ-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 74.41 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.55
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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-[6-[3-(dimethylamino)propoxy]-2-fluoro-3-pyridinyl]-7-fluoro-1-(3-methoxycyclobutyl)-3-methylimidazo[4,5-c]quinolin-2-one?

The IUPAC name of 8-[6-[3-(dimethylamino)propoxy]-2-fluoro-3-pyridinyl]-7-fluoro-1-(3-methoxycyclobutyl)-3-methylimidazo[4,5-c]quinolin-2-one (CID 118502821) is 8-[6-[3-(dimethylamino)propoxy]-2-fluoro-3-pyridinyl]-7-fluoro-1-(3-methoxycyclobutyl)-3-methylimidazo[4,5-c]quinolin-2-one.

What is the SMILES notation for 8-[6-[3-(dimethylamino)propoxy]-2-fluoro-3-pyridinyl]-7-fluoro-1-(3-methoxycyclobutyl)-3-methylimidazo[4,5-c]quinolin-2-one?

The canonical SMILES for 8-[6-[3-(dimethylamino)propoxy]-2-fluoro-3-pyridinyl]-7-fluoro-1-(3-methoxycyclobutyl)-3-methylimidazo[4,5-c]quinolin-2-one is COC1CC(n2c(=O)n(C)c3cnc4cc(F)c(-c5ccc(OCCCN(C)C)nc5F)cc4c32)C1.

What is the InChIKey of 8-[6-[3-(dimethylamino)propoxy]-2-fluoro-3-pyridinyl]-7-fluoro-1-(3-methoxycyclobutyl)-3-methylimidazo[4,5-c]quinolin-2-one?

The InChIKey is GCCDCEIIJOUYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N5O3/c1-31(2)8-5-9-36-23-7-6-17(25(28)30-23)18-12-19-21(13-20(18)27)29-14-22-24(19)33(26(34)32(22)3)15-10-16(11-15)35-4/h6-7,12-16H,5,8-11H2,1-4H3.

What are the key properties of 8-[6-[3-(dimethylamino)propoxy]-2-fluoro-3-pyridinyl]-7-fluoro-1-(3-methoxycyclobutyl)-3-methylimidazo[4,5-c]quinolin-2-one?

8-[6-[3-(dimethylamino)propoxy]-2-fluoro-3-pyridinyl]-7-fluoro-1-(3-methoxycyclobutyl)-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 497.55 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[6-[3-(dimethylamino)propoxy]-2-fluoro-3-pyridinyl]-7-fluoro-1-(3-methoxycyclobutyl)-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 118502821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).